2039-87-4 structure, C8H7Cl

1-chloro-2-ethenylbenzene

CAS No.

2039-87-4

Formula:

C8H7Cl

Basic Info

2-Chlorostyrene is a chlorinated derivative of styrene with the chemical formula C8H7Cl.

Formula
C8H7Cl
Molecular Weight
138.594
Exact Mass
138.024
LogP
2.983
PSA
0
Synonyms

chloro-styrene

Benzene, 1-chloro-2-ethenyl-

Styrene,2-chloro

o-Chlorostyrene

Styrene,o-chloro

1-Chloro-2-vinylbenzene

Benzene,1-chloro-2-ethenyl

ortho-Chlorostyrene

Stryene,o-chloro

2-Cl-styrene

2-chloro(vinyl)benzene

2-Chlorostyrene

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Properties

Appearance & Physical State
Clear yellow liquid.
Density
1.08
Boiling Point
189ºC
Melting Point
-63.1ºC
Flash Point
58ºC
Refractive Index
1.5638-1.5658
Stability
Stable under normal temperatures and pressures. May discolor on exposure to light.
Storage Condition
Refrigerator

Safety Info

RTECS
WL4160000
Safety Statements
S26-S37/39
WGK Germany
3
Risk Statements
R36/37/38
HS Code
2903999090
RIDADR
UN 1993
Hazard Class
3
Packing Group
III
Caution Statement
P201; P261; P304 + P340 + P312; P308 + P313; P403 + P235
Hazard Codes
Hazard Declaration

MSDS

SDS 1.0
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SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-chloro-2-ethenylbenzene

1.2 Other means of identification

Product number -
Other names Styrene,2-chloro

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

Company MOLBASE (Shanghai) Biotechnology Co., Ltd.
Address Floor 4 & 5, Building 12, No. 1001 North Qinzhou Road,
Xuhui District, Shanghai, China
Telephone +86(21)64956998
Fax +86(21)54365166

1.5 Emergency phone number

Emergency phone number +86-400-6021-666
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 3

Acute toxicity - Inhalation, Category 4

Carcinogenicity, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H226 Flammable liquid and vapour

H332 Harmful if inhaled

H350 May cause cancer

Precautionary statement(s)
Prevention

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.

P233 Keep container tightly closed.

P240 Ground and bond container and receiving equipment.

P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment.

P242 Use non-sparking tools.

P243 Take action to prevent static discharges.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

Response

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P370+P378 In case of fire: Use ... to extinguish.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/…if you feel unwell.

P308+P313 IF exposed or concerned: Get medical advice/ attention.

Storage

P403+P235 Store in a well-ventilated place. Keep cool.

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

3.Composition/information on ingredients

3.1 Substances

Chemical name Common names and synonyms CAS number EC number Concentration
1-chloro-2-ethenylbenzene 1-chloro-2-ethenylbenzene 2039-87-4 none 100%

4.First-aid measures

4.1 Description of necessary first-aid measures

General advice

Consult a physician. Show this safety data sheet to the doctor in attendance.

If inhaled

Fresh air, rest. Refer for medical attention.

In case of skin contact

Rinse and then wash skin with water and soap.

In case of eye contact

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

If swallowed

Rinse mouth.

4.2 Most important symptoms/effects, acute and delayed

Exposure Routes: inhalation, ingestion, skin and/or eye contact Target Organs: Eyes, skin, liver, kidneys, central nervous system, peripheral nervous system (NIOSH, 2016)

4.3 Indication of immediate medical attention and special treatment needed, if necessary

Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if needed. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool ... . Cover skin burns with dry sterile dressings after decontamination ... . /Poison A and B/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Fires involving this compound should be controlled using a Halon carbon dioxide, or dry chemical extinguisher.

5.2 Specific hazards arising from the chemical

This compound is combustible.

5.3 Special protective actions for fire-fighters

Wear self-contained breathing apparatus for firefighting if necessary.

6.Accidental release measures

6.1 Personal precautions, protective equipment and emergency procedures

Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8.

6.2 Environmental precautions

Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Remove all ignition sources. Ventilation. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.

6.3 Methods and materials for containment and cleaning up

Pick up and arrange disposal. Sweep up and shovel. Keep in suitable, closed containers for disposal.

7.Handling and storage

7.1 Precautions for safe handling

Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2.

7.2 Conditions for safe storage, including any incompatibilities

Fireproof. Keep in a well-ventilated room. Cool. Store only if stabilized.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

Recommended Exposure Limit: 10 Hr Time-Weighted Avg: 50 ppm (285 mg/cu m).

Recommended Exposure Limit: 15 Min Short-Term Exposure Limit: 75 ppm (428 mg/cu m).

Biological limit values

no data available

8.2 Appropriate engineering controls

Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

8.3 Individual protection measures, such as personal protective equipment (PPE)

Eye/face protection

Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Skin protection

Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it.

Respiratory protection

Wear dust mask when handling large quantities.

Thermal hazards

no data available

9.Physical and chemical properties

Physical state Clear yellow liquid.
Colour Liquid
Odour Limited evidence indicates that the odor-warning property of o-chlorostyrene does not offer adequate warning & that vapor concns must approach 400-600 ppm to discourage exposures to even unacclimated workers.
Melting point/ freezing point -63°C(lit.)
Boiling point or initial boiling point and boiling range 58-60°C/7mmHg(lit.)
Flammability Class II Combustible Liquid: Fl.P. at or above 37.78°C and below 60°C.Flammable. Gives off irritating or toxic fumes (or gases) in a fire.
Lower and upper explosion limit / flammability limit no data available
Flash point 59°C
Auto-ignition temperature no data available
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility less than 1 mg/mL at 21.11°C
Partition coefficient n-octanol/water (log value) 3.58
Vapour pressure 0.96 mm Hg at 25°C (NIOSH, 2016)
Density and/or relative density 1.08g/mLat 25°C(lit.)
Relative vapour density (air = 1): 4.8
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Stable under recommended storage conditions.

10.3 Possibility of hazardous reactions

O-CHLOROSTYRENE may be sensitive to heat or prolonged exposure to light. This compound may polymerize.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

STABILITY: This compound may be sensitive to heat or prolonged exposure to light.REACTIVITY: This compound may polymerize.

10.6 Hazardous decomposition products

When heated to decomposition it emits toxic fumes of /chlorides/.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat oral 5200 mg/kg /Chlorostyrene/
  • Inhalation: no data available
  • Dermal: LD50 Rabbit percutaneous 20 g/kg /Chlorostyrene/

Skin corrosion/irritation

no data available

Serious eye damage/irritation

no data available

Respiratory or skin sensitization

no data available

Germ cell mutagenicity

no data available

Carcinogenicity

no data available

Reproductive toxicity

no data available

STOT-single exposure

no data available

STOT-repeated exposure

no data available

Aspiration hazard

no data available

12.Ecological information

12.1 Toxicity

  • Toxicity to fish: no data available
  • Toxicity to daphnia and other aquatic invertebrates: no data available
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

Data regarding the biodegradation of o-chlorostyrene in either soil or aquatic systems were not available. (SRC)

12.3 Bioaccumulative potential

An estimated BCF of 100 was calculated for o- chlorostyrene(SRC), using an estimated log Kow of 3.54(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is moderate(SRC).

12.4 Mobility in soil

Using a structure estimation method based on molecular connectivity indices(1), the Koc for o-chlorostyrene can be estimated to be 860(SRC). According to a classification scheme(2), this estimated Koc value suggests that o-chlorostyrene is expected to have low mobility in soil(SRC).

12.5 Other adverse effects

no data available

13.Disposal considerations

13.1 Disposal methods

Product

The material can be disposed of by removal to a licensed chemical destruction plant or by controlled incineration with flue gas scrubbing. Do not contaminate water, foodstuffs, feed or seed by storage or disposal. Do not discharge to sewer systems.

Contaminated packaging

Containers can be triply rinsed (or equivalent) and offered for recycling or reconditioning. Alternatively, the packaging can be punctured to make it unusable for other purposes and then be disposed of in a sanitary landfill. Controlled incineration with flue gas scrubbing is possible for combustible packaging materials.

14.Transport information

14.1 UN Number

ADR/RID: UN1993 IMDG: UN1993 IATA: UN1993

14.2 UN Proper Shipping Name

ADR/RID: FLAMMABLE LIQUID, N.O.S.
IMDG: FLAMMABLE LIQUID, N.O.S.
IATA: FLAMMABLE LIQUID, N.O.S.

14.3 Transport hazard class(es)

ADR/RID: 3 IMDG: 3 IATA: 3

14.4 Packing group, if applicable

ADR/RID: III IMDG: III IATA: III

14.5 Environmental hazards

ADR/RID: no IMDG: no IATA: no

14.6 Special precautions for user

no data available

14.7 Transport in bulk according to Annex II of MARPOL 73/78 and the IBC Code

no data available

15.Regulatory information

15.1 Safety, health and environmental regulations specific for the product in question

Chemical name Common names and synonyms CAS number EC number
1-chloro-2-ethenylbenzene 1-chloro-2-ethenylbenzene 2039-87-4 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Listed.
EC Inventory Listed.
United States Toxic Substances Control Act (TSCA) Inventory Not Listed.
China Catalog of Hazardous chemicals 2015 Not Listed.
New Zealand Inventory of Chemicals (NZIoC) Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Not Listed.
Vietnam National Chemical Inventory Not Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Not Listed.

16.Other information

Information on revision

Creation Date Aug 11, 2017
Revision Date Aug 11, 2017

Abbreviations and acronyms

  • CAS: Chemical Abstracts Service
  • ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
  • RID: Regulation concerning the International Carriage of Dangerous Goods by Rail
  • IMDG: International Maritime Dangerous Goods
  • IATA: International Air Transportation Association
  • TWA: Time Weighted Average
  • STEL: Short term exposure limit
  • LC50: Lethal Concentration 50%
  • LD50: Lethal Dose 50%
  • EC50: Effective Concentration 50%

References

  • IPCS - The International Chemical Safety Cards (ICSC), website: http://www.ilo.org/dyn/icsc/showcard.home
  • HSDB - Hazardous Substances Data Bank, website: https://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm
  • IARC - International Agency for Research on Cancer, website: http://www.iarc.fr/
  • eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website: http://www.echemportal.org/echemportal/index?pageID=0&request_locale=en
  • CAMEO Chemicals, website: http://cameochemicals.noaa.gov/search/simple
  • ChemIDplus, website: http://chem.sis.nlm.nih.gov/chemidplus/chemidlite.jsp
  • ERG - Emergency Response Guidebook by U.S. Department of Transportation, website: http://www.phmsa.dot.gov/hazmat/library/erg
  • Germany GESTIS-database on hazard substance, website: http://www.dguv.de/ifa/gestis/gestis-stoffdatenbank/index-2.jsp
  • ECHA - European Chemicals Agency, website: https://echa.europa.eu/

Disclaimer: The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. We as supplier shall not be held liable for any damage resulting from handling or from contact with the above product.
MSDS
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  2-Chlorostyrene (stabilized with TBC)      Revision number: 1    
  SAFETY DATA SHEET

Section 1. BASE INFORMATION
  Product name:        2-Chlorostyrene (stabilized with TBC)    

  Revision number:        1    

Section 2. HAZARDS IDENTIFICATION
  Classification of the GHS
  PHYSICAL HAZARDS
  Flammable liquids        Category 3    
  HEALTH HAZARDS
  Acute toxicity (Oral)        Category 5    
    Category 2
  Skin corrosion/irritation
  Serious eye damage/eye irritation        Category 2A    
    Not classified
  ENVIRONMENTAL HAZARDS
  GHS label elements
  Pictograms or hazard symbols
  Signal word        Warning    
  Hazard statement        Flammable liquid and vapour    
    May be harmful if swallowed
    Causes skin irritation
    Causes serious eye irritation
  Precautionary statements
  [Prevention]        Keep away from heat/sparks/open flames/hot surfaces. - No smoking.    
    Keep container tightly closed.
    Use explosion-proof electrical/ventilating/lighting equipment. Take precautionary
    measures against ignition by the static discharge and the spark.
    Wash hands thoroughly after handling.
    Wear protective gloves/eye protection/face protection.
  [Response]        IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,    
    if present and easy to do. Continue rinsing.
    If eye irritation persists: Get medical advice/attention.
    IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse
    skin with water/shower.
    If skin irritation occurs: Get medical advice/attention.
    Take off contaminated clothing and wash before reuse.
    Call a POISON CENTER or doctor/physician if you feel unwell.
  [Storage]        Store in a well-ventilated place. Keep cool.    
  [Disposal]        Dispose of contents/container through a waste management company authorized by    
    the local government
  2-Chlorostyrene (stabilized with TBC)

Section 2. HAZARDS IDENTIFICATION
  Other hazards which do not        May cause polimerization.    
  result in classification        May form explosive peroxides.    

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance    
  Component(s):        2-Chlorostyrene (stabilized with TBC)    
    >95.0%(GC)
  Percent:
  CAS Number:        2039-87-4    
  Chemical Formula:        C8H7Cl    

Section 4. FIRST AID MEASURES
  Inhalation:        Remove victim to fresh air and keep at rest in a position comfortable for breathing.    
    Call a POISON CENTER or doctor/physician if you feel unwell.
  Skin contact:        Remove/Take off immediately all contaminated clothing. Gently wash with plenty of    
    soap and water. If skin irritation or rash occurs: Get medical advice/attention.
    Rinse cautiously with water for several minutes. Remove contact lenses, if present
  Eye contact:
    and easy to do. Continue rinsing. If eye irritation persists: Get medical
    advice/attention.
  Ingestion:        Call a POISON CENTER or doctor/physician if you feel unwell. Rinse mouth.    
  Symptoms/effects:        dizziness, drowsiness, headache, nausea, weakness, redness, pain    
  Protection of first-aiders:        A rescuer should wear personal protective equipment, such as rubber gloves and air-    
    tight goggles.

Section 5. FIRE-FIGHTING MEASURES
    Dry chemical, foam, water spray, carbon dioxide.
  Suitable extinguishing
  media:
  Extinguishing media not to Solid streams of water
  be used:
    This substance may polimerize explosively when heated or involved in a fire.
  Specific hazards:
    Container may explode when heated. Combat fire from a sheltered position.
    Take care as it may decompose upon combustion or in high temperatures to
    generate poisonous fume.
    Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
  Specific methods:
    method according to the surrounding situation is used. Uninvolved persons should
    evacuate to a safe place. In case of fire in the surroundings: Keep containers cool by
    spraying with water. Eliminate all ignition sources if safe to do so.
  Special protective        When extinguishing fire, be sure to wear personal protective equipment.    
  equipment for firefighters:

Section 6. ACCIDENTAL RELEASE MEASURES
  Personal precautions,        Use personal protective equipment. Keep people away from and upwind of spill/leak.    
  protective equipment and Ensure adequate ventilation. Entry to non-involved personnel should be controlled
  emergency procedures: around the leakage area by roping off, etc.
  Environmental precautions: Prevent product from entering drains.
  Methods and materials for Absorb spilled material in dry sand or inert absorbent before recovering it into a
  containment and cleaning covered container. In case of large amount of spillage, contain a spill by bunding.
  up: Adhered or collected material should be promptly disposed of, in accordance with
    appropriate laws and regulations.
  Prevention of secondary Remove all sources of ignition. Fire-extinguishing devices should be prepared in
    case of a fire. Use spark-proof tools and explosion-proof equipment.
  hazards:

Section 7. HANDLING AND STORAGE
  Handling
  2-Chlorostyrene (stabilized with TBC)

Section 7. HANDLING AND STORAGE
  Technical measures:        Handling is performed in a well ventilated place. Wear suitable protective equipment.    
    Prevent generation of vapor or mist. Keep away from heat/sparks/open flame/hot
    surfaces. -No smoking. Take measures to prevent the build up of electrostatic
    charge. Use explosion-proof equipment. Wash hands and face thoroughly after
    handling.
    Use a closed system if possible. Use a ventilation, local exhaust if vapor or aerosol
    will be generated.
  Advice on safe handling: Avoid contact with skin, eyes and clothing.
    Confirm in advance if peroxides exist when operations involving heating such as
    distillation are carried out.
  Storage
  Storage conditions:        Keep container tightly closed. Store in an explosion-poof refregerator.    
    Store away from incompatible materials such as oxidizing agents.
  Packaging material:        Law is followed.    

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
    Install a closed system or local exhaust. Also install safety shower and eye bath.
  Engineering controls:
  Exposure limits:
    50 ppm
  ACGIH TLV(TWA):
  ACGIH TLV(STEL):        75 ppm    
  Personal protective equipment
  Respiratory protection: Vapor respirator. Follow local and national regulations.
  Hand protection:        Protective gloves.    
  Eye protection:        Safety glasses. A face-shield, if the situation requires.    
  Skin and body protection: Protective clothing. Protective boots, if the situation requires.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Physical state (20°C):        Liquid    
  Form:        clear    
  Color:        Colorless - Very pale yellow    
  Odor:        No data available    
  pH: No data available
  Melting point/freezing point:-63 °C
    187 °C
  Boiling Point/Range:
  Flash Point:        58°C    
  Explosive limits
  Lower:        No data available    
  Upper:        No data available    
  Vapor Pressure:        0.1kPa/25°C    
  Vapor Density:        4.8    
  Density:        1.10    
    Soluble in : Alcohol Ether Acetone
  Solubility:
    Very slightly soluble in: Water
    3.54
  log Pow =

Section 10. STABILITY AND REACTIVITY
  Stability:        Polymerization may occur under the influences of heat, light or upon contact with    
    polymelization initiator such as peroxides etc.
    May form explosive peroxides.
  Reactivity:        No special reactivity has been reported.    
  Conditions to avoid:        Heat-sensitive, Light-sensitive    
  Incompartible materials: oxidizing agents, acids, bases, halogens
  Hazardous Decomposition Carbon monoxide, Carbon dioxide, Hydrogen chloride, Phosgene
  Products:
  2-Chlorostyrene (stabilized with TBC)

Section 11. TOXICOLOGICAL INFORMATION
  Acute Toxicity:        orl-rat LD50:3810 uL/kg    
  Skin corrosion/irritation: No data available
  Serious eye        No data available    
  damage/irritation:
  Germ cell mutagenicity: No data available
  Carcinogenicity:
  IARC =        No data available    
    No data available
  NTP =
  Reproductive toxicity:        No data available    
    WL4160000
  RTECS Number:

Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
  Fish:        No data available    
  Crustacea:        No data available    
  Algae:        No data available    
  Persistence / degradability: No data available
  Bioaccumulative        100    
  potential(BCF):
  Mobillity in soil
  log Pow:        3.54    
  Soil adsorption (Koc):        860    
  Henry's Law        212    
  constant(PaM3/mol):

Section 13. DISPOSAL CONSIDERATIONS
    Recycle to process, if possible. Consult your local regional authorities. You may be able to burn in a chemical
    incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when
    disposing of the substance.

Section 14. TRANSPORT INFORMATION
  Hazards Class:        3: Flammable liquid.    
  UN-No:        1993    
  Proper shipping name:        Flammable liquid, n.o.s.    
  Packing group:        III    

Section 15. REGULATORY INFORMATION
  Safe management ordinance of dangerous chemical product (State Council announces on January 26,
  2002): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were
    prescribed.


SECTION 16 - ADDITIONAL INFORMATION
N/A

Spectrum

NMR Spectrum 1H NMR : Predict
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Related Compound Information