393-77-1 structure, C7H3F3N2O5

2,6-DINITRO-4-(TRIFLUOROMETHYL)PHENOL

CAS No.

393-77-1

Formula:

C7H3F3N2O5

Basic Info

Formula
C7H3F3N2O5
Molecular Weight
252.104
Exact Mass
251.999
LogP
3.2738
PSA
111.87
Synonyms

T0512-0739

2,6-dinitro-4-trifluoromethylphenol

α,α,α-Trifluoro-2,6-dinitro-p-cresol

2,6-Dinitro-4-trifluormethyl-phenol

2,6-Dinitro-4-(trifluoroMethyl)phenol

3,5-Dinitro-4-hydroxy-benzotrifluorid

4-Hydroxy-3,5-dinitrobenzotrifluoride

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Properties

Density
1.737 g/cm3
Boiling Point
227.3ºC at 760 mmHg
Melting Point
47ºC
Flash Point
91.3ºC
Refractive Index
1.549

Safety Info

Safety Statements
26-36/37/39
Risk Statements
R20/21/22
HS Code
2908999090
RIDADR
UN 3224
Hazard Codes

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 2,6-DINITRO-4-(TRIFLUOROMETHYL)PHENOL

1.2 Other means of identification

Product number -
Other names 2,6-Dinitro-4-trifluormethyl-phenol

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

Acute toxicity - Oral, Category 4

Acute toxicity - Dermal, Category 4

Skin irritation, Category 2

Eye irritation, Category 2

Acute toxicity - Inhalation, Category 4

Specific target organ toxicity – single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H312 Harmful in contact with skin

H315 Causes skin irritation

H319 Causes serious eye irritation

H332 Harmful if inhaled

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

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.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/…if you feel unwell.

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

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

P321 Specific treatment (see ... on this label).

P362+P364 Take off contaminated clothing and wash it before reuse.

P332+P313 If skin irritation occurs: Get medical advice/attention.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

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

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

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
2,6-DINITRO-4-(TRIFLUOROMETHYL)PHENOL 2,6-DINITRO-4-(TRIFLUOROMETHYL)PHENOL 393-77-1 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

If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.

In case of skin contact

Wash off with soap and plenty of water. Consult a physician.

In case of eye contact

Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.

If swallowed

Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

4.2 Most important symptoms/effects, acute and delayed

no data available

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

no data available

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.

5.2 Specific hazards arising from the chemical

no data available

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

Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided.

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

Store in cool place. Keep container tightly closed in a dry and well-ventilated place.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

no data available

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 no data available
Colour no data available
Odour no data available
Melting point/ freezing point 198°C(lit.)
Boiling point or initial boiling point and boiling range 95°C/10mmHg(lit.)
Flammability no data available
Lower and upper explosion limit / flammability limit no data available
Flash point -17°C(lit.)
Auto-ignition temperature no data available
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility no data available
Partition coefficient n-octanol/water (log value) no data available
Vapour pressure no data available
Density and/or relative density 1.737 g/cm3
Relative vapour density no data available
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

no data available

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

no data available

10.6 Hazardous decomposition products

no data available

11.Toxicological information

Acute toxicity

  • Oral: no data available
  • Inhalation: no data available
  • Dermal: no data available

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

no data available

12.3 Bioaccumulative potential

no data available

12.4 Mobility in soil

no data available

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: UN2930 IMDG: UN2930 IATA: UN2930

14.2 UN Proper Shipping Name

ADR/RID: TOXIC SOLID, FLAMMABLE, ORGANIC, N.O.S.
IMDG: TOXIC SOLID, FLAMMABLE, ORGANIC, N.O.S.
IATA: TOXIC SOLID, FLAMMABLE, ORGANIC, N.O.S.

14.3 Transport hazard class(es)

ADR/RID: 6.1 IMDG: 6.1 IATA: 6.1

14.4 Packing group, if applicable

ADR/RID: I IMDG: I IATA: I

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
2,6-DINITRO-4-(TRIFLUOROMETHYL)PHENOL 2,6-DINITRO-4-(TRIFLUOROMETHYL)PHENOL 393-77-1 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Not Listed.
EC Inventory Not 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) Not 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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  Revision number: 5
  2,6-Dinitro-4-(trifluoromethyl)phenol
  SAFETY DATA SHEET

Section 1. IDENTIFICATION
    2,6-Dinitro-4-(trifluoromethyl)phenol
  Product name:
    

    5
  Revision number:

Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS
    Category 1
  Flammable solids
  HEALTH HAZARDS
    Category 1
  Acute toxicity (Oral)
    Category 1
  Acute toxicity (Dermal)
    Category 1
  Acute toxicity (Inhalation)
    Not classified
  ENVIRONMENTAL HAZARDS
  GHS label elements, including precautionary statements
  Pictograms or hazard symbols
    Danger
  Signal word
    Flammable solid
  Hazard statements
    Fatal by inhalation, in contact with skin and if swallowed
  Precautionary statements:
    Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
  [Prevention]
    Use explosion-proof electrical/ventilating/lighting equipment.
    Do not breathe dust/fume/gas/mist/vapours/spray.
    Do not get in eyes, on skin, or on clothing.
    Use only outdoors or in a well-ventilated area.
    Do not eat, drink or smoke when using this product.
    Wash hands thoroughly after handling.
    Wear respiratory protection.
    Wear protective gloves and eye/face protection.
    IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for
  [Response]
    breathing. Immediately call a POISON CENTER or doctor/physician.
    IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. Rinse
    mouth.
    IF ON SKIN: Gently wash with plenty of soap and water.
    Remove/Take off immediately all contaminated clothing.
    Wash contaminated clothing before reuse.
    Immediately call a POISON CENTER or doctor/physician.
    Store in a well-ventilated place. Keep container tightly closed.
  [Storage]
    Store locked up.
  2,6-Dinitro-4-(trifluoromethyl)phenol

Section 2. HAZARDS IDENTIFICATION
    Dispose of contents/container through a waste management company authorized by
  [Disposal]
    the local government.

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
    Substance
  Substance/mixture:
    2,6-Dinitro-4-(trifluoromethyl)phenol
  Components:
    >97.0%(GC)
  Percent:
    393-77-1
  CAS Number:
    4-Hydroxy-3,5-dinitrobenzotrifluoride , α,α,α-Trifluoro-2,6-dinitro-p-cresol
  Synonyms:
    C7H3F3N2O5
  Chemical Formula:

Section 4. FIRST AID MEASURES
    Remove victim to fresh air and keep at rest in a position comfortable for breathing.
  Inhalation:
    Immediately call a POISON CENTER or doctor/physician.
    Remove/Take off immediately all contaminated clothing. Gently wash with plenty of
  Skin contact:
    soap and water. Immediately call a POISON CENTER or doctor/physician.
    Rinse cautiously with water for several minutes. Remove contact lenses, if present
  Eye contact:
    and easy to do. Continue rinsing.Immediately call a POISON CENTER or
    doctor/physician.
    Immediately call a POISON CENTER or doctor/physician. Rinse mouth.
  Ingestion:
    A rescuer should wear personal protective equipment, such as rubber gloves and air-
  Protection of first-aiders:
    tight goggles.

Section 5. FIRE-FIGHTING MEASURES
    Dry chemical, foam, water spray, carbon dioxide.
  Suitable extinguishing
  media:
  Specific hazards arising Explosion risk in case of fire. Fight fire remotely due to the risk of explosion.
    Take care as it may decompose upon combustion or in high temperatures to
  from the chemical:
    generate poisonous fume.
  Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
    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.
    When extinguishing fire, be sure to wear personal protective equipment.
  Special protective
  equipment for firefighters:

Section 6. ACCIDENTAL RELEASE MEASURES
    Use extra personal protective equipment (self-contained breathing apparatus). Keep
  Personal precautions,
  protective equipment and people away from and upwind of spill/leak. Entry to non-involved personnel should
  emergency procedures: be controlled around the leakage area by roping off, etc.
  Environmental precautions: Prevent product from entering drains.
  Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
  containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
  up: 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
  Precautions for safe handling
    Handling is performed in a well ventilated place. Wear suitable protective equipment.
  Technical measures:
    Be careful not to cause leakage, overflow, or dispersion. Steam should not be
    generated unnecessarily. 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. Avoid shock and friction. Wash hands and face before
    breaks and immediately after handling the product.
  2,6-Dinitro-4-(trifluoromethyl)phenol

Section 7. HANDLING AND STORAGE
    Use a closed system if possible. Use a local exhaust if dust or aerosol will be
    generated.
  Advice on safe handling: Avoid contact with skin, eyes and clothing.
  Conditions for safe storage, including any
  incompatibilities
    Keep container tightly closed. Store in a cool, dark and well-ventilated place.
  Storage conditions:
    Store locked up.
    Be sure not to give the container unexpected impacts, such as falling down or falling
    off.
    Store away from incompatible materials such as oxidizing agents.
    Comply with laws.
  Packaging material:

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
    Install a closed system or local exhaust. Also install safety shower and eye bath.
  Engineering controls:
  Personal protective equipment
  Respiratory protection: Dust respirator, self-contained breathing apparatus(SCBA), supplied air respirator,
    etc. Use respirators approved under appropriate government standards and follow
    local and national regulations.
    Impervious gloves.
  Hand protection:
    Safety goggles. A face-shield, if the situation requires.
  Eye protection:
  Skin and body protection: Impervious protective clothing. Protective boots, if the situation requires.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
    Solid
  Physical state (20°C):
    Crystal- Powder
  Form:
    Pale yellow - Yellow
  Colour:
    No data available
  Odour:
  pH: No data available
  Melting point/freezing point:No data available
    No data available
  Boiling point/range:
    No data available
  Flash point:
  Flammability or explosive
  limits:
    No data available
  Lower:
    No data available
  Upper:
    No data available
  Relative density:
  Solubility(ies):
    No data available
  [Water]
  [Other solvents]
    Toluene
  Soluble:

Section 10. STABILITY AND REACTIVITY
    Stable under proper conditions.
  Chemical stability:
  Possibility of hazardous May explosively decompose on heating, shock, friction, etc.
  reactions:
    Heat, Spark, Open flame, Static discharge, Shock, Friction
  Conditions to avoid:
  Incompatible materials: Oxidizing agents, Strong bases
  Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx), Hydrogen fluoride
  products:

Section 11. TOXICOLOGICAL INFORMATION
    No data available
  Acute Toxicity:
  Skin corrosion/irritation: No data available
    No data available
  Serious eye
  damage/irritation:
  Germ cell mutagenicity: No data available
  2,6-Dinitro-4-(trifluoromethyl)phenol

Section 11. TOXICOLOGICAL INFORMATION
  Carcinogenicity:
    No data available
  IARC =
    No data available
  NTP =
    No data available
  Reproductive toxicity:

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

Section 13. DISPOSAL CONSIDERATIONS
    Recycle to process, if possible. Consult your local regional authorities and an expert of disposal. You may be able
    to dissolve or mix material with a combustible solvent and little by little burn in a chemical incinerator equipped with
    an afterburner and scrubber system. If a large amount of the substance is burned at a time, an explosion may
    occur. Observe all federal, state and local regulations when disposing of the substance.

Section 14. TRANSPORT INFORMATION
    6.1: Toxic substance.
  Hazards Class:
    4.1: Flammable solid.
  Subsidiary risk:
    2930
  UN-No:
    Toxic solid, flammable, organic, n.o.s.
  Proper shipping name:
    I
  Packing group:

Section 15. REGULATORY INFORMATION
  Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
  and revised on February 16,2011): 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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