594-72-9 structure, C2H3Cl2NO2

1,1-DICHLORO-1-NITROETHANE

CAS No.

594-72-9

Formula:

C2H3Cl2NO2

Basic Info

Formula
C2H3Cl2NO2
Molecular Weight
143.957
Exact Mass
142.954
LogP
1.9376
PSA
45.82
Synonyms

Ethide

Ethane, 1,1-dichloro-1-nitro-

Dichloro-1-nitroethane

1,1-Dichlor-1-nitroethan

Dichloronitroethane

Caswell No. 313

1,1-Dicloro-1-nitroetano

1,1-dichloro-1-nitro-ethane

Ethane,1,1-dichloro-1-nitro

1,1-Dichlor-1-nitro-aethan

1,1-Dichloro-1-nitroaethan

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Properties

Appearance & Physical State
COLOURLESS LIQUID , WITH PUNGENT ODOUR.
Density
1.481 g/cm3
Boiling Point
123.5ºC at 760 mmHg
Flash Point
31.7ºC
Refractive Index
1.467

Safety Info

Risk Statements
R23/24/25
RIDADR
UN 2650
Hazard Class
6.1(a)
Packing Group
II

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 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 1,1-DICHLORO-1-NITROETHANE

1.2 Other means of identification

Product number -
Other names Ethide

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 3

Acute toxicity - Dermal, Category 3

Acute toxicity - Inhalation, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

H311 Toxic in contact with skin

H331 Toxic if inhaled

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+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/…

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

P330 Rinse mouth.

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

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

P361+P364 Take off immediately all contaminated clothing and wash it before reuse.

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

P311 Call a POISON CENTER/doctor/…

Storage

P405 Store locked up.

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

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
1,1-DICHLORO-1-NITROETHANE 1,1-DICHLORO-1-NITROETHANE 594-72-9 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. Half-upright position. Refer for medical attention.

In case of skin contact

Remove contaminated clothes. 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. Rinse mouth. Refer for medical attention .

4.2 Most important symptoms/effects, acute and delayed

High concentrations cause lacrimation, increased nasal secretions, coughing, pulmonary rales, and weakness in animals. No human experience is reported. (USCG, 1999)

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

Minimum/Potential Fatal Human Dose

4. 4= VERY TOXIC: PROBABLE ORAL LETHAL DOSE (HUMAN) 50-500 MG/KG, BETWEEN 1 TEASPOONFUL & 1 OZ FOR 70 KG PERSON (150 LB).

Absorption, Distribution and Excretion

GC/MS ANALYSES OF PROFILES OF VOLATILE CONSTITUENTS OBTAINED FROM CORD BLOOD & MATERNAL BLOOD SAMPLES REFLECT TRANSPLACENTALLY ACQUIRED HALOGENATED HYDROCARBONS & ACCUM IN FETAL CORD BLOOD.

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped. Extinguish fire using agent suitable for type of surrounding fire. (Material itself does not burn or burns with difficulty.) Use water if flooding quantities as fog. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use foam, dry chemical, or carbon dioxide. Keep run-off water out of sewers and water sources.

5.2 Specific hazards arising from the chemical

Special Hazards of Combustion Products: Toxic gases and vapors, such as nitrogen oxides, hydrogen chloride, and carbon monoxide, may be released in a fire. (USCG, 1999)

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: self-contained breathing apparatus. Collect leaking liquid in sealable metal containers.

6.3 Methods and materials for containment and cleaning up

1. Remove all ignition sources. 2. Ventilate area of spill or leak. 3. For small quantities, absorb on paper towels. Evaporate in safe place (such as a fume hood). Allow sufficient time for evaporating vapors to completely clear the hood ductwork. Burn the paper in a suitable location away from combustible materials. Large quantities can be collected & atomized in a suitable combustion chamber equipped with an appropriate effluent gas cleaning device. 1,1-Dichloro-1-nitroethane should not be allowed to enter a confined space, such as a sewer, because of the possibility of an explosion.

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. Separated from strong oxidants and food and feedstuffs.IN GENERAL, MATERIALS WHICH ARE TOXIC AS STORED OR WHICH CAN DECOMP INTO TOXIC COMPONENTS...SHOULD BE STORED IN A COOL, WELL-VENTILATED PLACE, OUT OF DIRECT RAYS OF THE SUN, AWAY FROM AREAS OF HIGH FIRE HAZARD, & SHOULD BE PERIODICALLY INSPECTED... INCOMPATIBLE MATERIALS SHOULD BE ISOLATED FROM EACH OTHER.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

Recommended Exposure Limit: 10 Hr Time-Weighted Avg: 2 ppm (10 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 COLOURLESS LIQUID , WITH PUNGENT ODOUR.
Colour COLORLESS LIQUID
Odour Unpleasant odor.
Melting point/ freezing point no data available
Boiling point or initial boiling point and boiling range 123.5ºC at 760 mmHg
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 31.7ºC
Auto-ignition temperature no data available
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility 1 to 10 mg/mL at 18.89°C
Partition coefficient n-octanol/water (log value) 1.56
Vapour pressure 16 mm Hg at 25°C
Density and/or relative density 1.481 g/cm3
Relative vapour density 5 (Relative to Air)
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

MODERATE WHEN EXPOSED TO HEAT OR FLAME.1,1-DICHLORO-1-NITROETHANE is incompatible with oxidizers. It will attack some forms of plastics, rubber and coatings.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Strong oxidizers (Note: Corrosive to iron in presence of moisture).

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

Based upon an estimated water solubility of 2500 mg/l(2), the BCF of 1,1-dichloro-1- nitroethane can be estimated to be approximately 7.5 from a regression-derived equation(1). This estimated BCF value suggests that bioconcentration in aquatic organisms may not be an important fate process(SRC).

12.4 Mobility in soil

Using a structure estimation method based on molecular connectivity indexes(1), the Koc for 1,1-dichloro-1-nitroethane can be estimated to be about 36(SRC). The Koc for 1,1-dichloro-1-nitroethane can be estimated to be about 59(SRC) based on an estimated water solubility of 2500 mg/L(4) and a regression derived equation(2). According to a suggested classification scheme(3), these estimated Koc values suggest that 1,1-dichloro-1-nitroethane has high to very high soil mobility(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: UN2650 IMDG: UN2650 IATA: UN2650

14.2 UN Proper Shipping Name

ADR/RID: 1,1-DICHLORO-1- NITROETHANE
IMDG: 1,1-DICHLORO-1- NITROETHANE
IATA: 1,1-DICHLORO-1- NITROETHANE

14.3 Transport hazard class(es)

ADR/RID: 6.1(a) IMDG: 6.1(a) IATA: 6.1(a)

14.4 Packing group, if applicable

ADR/RID: II IMDG: II IATA: II

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
1,1-DICHLORO-1-NITROETHANE 1,1-DICHLORO-1-NITROETHANE 594-72-9 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 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 14, 2017
Revision Date Aug 14, 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.

Spectrum

NMR Spectrum 1H NMR : Predict
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Synthesis Route

1.Synthesis Route

Precursor

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