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3252-43-5 structure, C2HBr2N
2,2-dibromoacetonitrile
CAS No.: 3252-43-5 Formula: C2HBr2N Molecular Weight: 198.84400
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2,2-dibromoacetonitrile

CAS No.:

3252-43-5

Formula:

C2HBr2N

Molecular Weight: 198.84400
Suppliers: All (47) China Suppliers (19) Price Available (6) Contractor (1)

Basic Info

Chemical Name

2,2-dibromoacetonitrile

Synonyms

Dibrom-acetonitril; EINECS 221-843-2; Dibromoacetonitrile; Acetonitrile,dibromo; 2,2-dibromoethanenitrile; Acetonitrile, dibromo-; Expand

CAS No.

3252-43-5

Molecular Formula

C2HBr2N

Molecular Weight

198.84400

PSA

23.79000

LogP

1.62588

Numbering system

MDL number MFCD00001856
EINECS number 221-843-2

Properties

Appearance & Physical State

Clear colorless to yellow liquid

Density

2.434g/cm3

Boiling Point

163.1ºC at 760mmHg

Flash Point

31.9ºC

Refractive Index

1.538-1.543

Storage Condition

0-6ºC

Safety Info

RTECS

AL8450000

Hazard Class

3

Safety Statements

S36/37; S26

HS Code

2926909090

Packing Group

III

RIDADR

UN 3275

Risk Statements

R20/21/22

Hazard Codes

Xn; T

SDS 1.0

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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 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,2-dibromoacetonitrile

1.2 Other means of identification

Product number -
Other names EINECS 221-843-2

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

Not classified.

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

none

Response

none

Storage

none

Disposal

none

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
2,2-dibromoacetonitrile 2,2-dibromoacetonitrile 3252-43-5 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

SYMPTOMS: Symptoms of exposure to this compound include irritation of the eyes, mucous membranes and upper respiratory tract, burning sensation, coughing, wheezing, laryngitis, shortness of breath, headache, nausea and vomiting. It is a lachrymator. ACUTE/CHRONIC HAZARDS: This compound may be fatal by ingestion, inhalation or skin absorption. It is an irritant of the eyes, mucous membranes and upper respiratory tract. It is also a lachrymator. When heated to decomposition it emits highly toxic fumes of carbon monoxide, carbon dioxide, nitrogen oxides, bromine, hydrogen bromide gas and cyanides.

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

/SRP:/ Immediate first aid: Remove patient from contact with the material. Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand-valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR as necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Cyanide and related compounds/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

FIREFIGHTING. Protective Equipment: Wear self-contained breathing apparatus and protective clothing to prevent contact with skin and eyes.

5.2 Specific hazards arising from the chemical

Literature sources indicate that this compound is nonflammable.

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

Absorb on sand or vermiculite and place in closed containers for disposal. Ventilate area and wash spill site after material pickup is complete.

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

Keep tightly closed.

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 Clear colorless to yellow liquid
Colour Liquid
Odour no data available
Melting point/ freezing point no data available
Boiling point or initial boiling point and boiling range 163.1ºC at 760mmHg
Flammability no data available
Lower and upper explosion limit / flammability limit no data available
Flash point 31.9ºC
Auto-ignition temperature no data available
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility 5 to 10 mg/mL at 21.5°C
Partition coefficient n-octanol/water (log value) log Kow = 0.47 (est)
Vapour pressure 2 mm Hg at 50°C ; 15 mm Hg at 70°C; 48 mm Hg at 95°C
Density and/or relative density 2.434g/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

DIBROMOACETONITRILE is incompatible with strong acids, strong bases, strong oxidizing agents and strong reducing agents. . Nitriles may polymerize in the presence of metals and some metal compounds. They are incompatible with acids; mixing nitriles with strong oxidizing acids can lead to extremely violent reactions. Nitriles are generally incompatible with other oxidizing agents such as peroxides and epoxides. The combination of bases and nitriles can produce hydrogen cyanide. Nitriles are hydrolyzed in both aqueous acid and base to give carboxylic acids (or salts of carboxylic acids). These reactions generate heat. Peroxides convert nitriles to amides. Nitriles can react vigorously with reducing agents. Acetonitrile and propionitrile are soluble in water, but nitriles higher than propionitrile have low aqueous solubility. They are also insoluble in aqueous acids.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

no data available

10.6 Hazardous decomposition products

When heated to decomposition it emits very toxic fumes of /Nitrogen oxides/, /Hydrogen Bromide/ and /Cyanide/.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Mouse (male) oral 289 mg/kg[Hayes JR et al; Environ Health Perspect 69: 183-202 (1986)] Full text: PMC1474335
  • 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

Evaluation: No epidemiological data relevant to the carcinogenicity of dibromoacetonitrile were available. There is inadequate evidence in experimental animals for the carcinogenicity of dibromoacetonitrile. Overall evaluation: Dibromoacetonitrile is not classifiable as to its carcinogenicity to humans (Group 3).

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: LC50; Species: Pimephales promelas (Fathead minnow, standard length 20.5 mm, weight 150 mg); Conditions: freshwater, static, 16.6-17.0°C, pH 7.8-8.3, hardness 98-113 mg/L CaCO3, alkalinity 75-87 mg/L CaCO3, dissolved oxygen 8.7-9.6 mg/L; Concentration: 710 ug/L for 24 hr (95% confidence interval: 650-780 ug/L) /96% purity
  • 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

Dibromoacetonitrile is a by product of water chlorination and hydrolyzes quickly, therefore biodegradation is not expected to be an important fate in the environment. (SRC)

12.3 Bioaccumulative potential

An estimated BCF of 3 was calculated in fish for dibromoacetonitrile(SRC), using an estimated log Kow of 0.47(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

12.4 Mobility in soil

Using a structure estimation method based on molecular connectivity indices(1), the Koc of dibromoacetonitrile can be estimated to be 13(SRC). According to a classification scheme(2), this estimated Koc value suggests that dibromoacetonitrile is expected to have very high mobility in soil.

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: UN3275 IMDG: UN3275 IATA: UN3275

14.2 UN Proper Shipping Name

ADR/RID: NITRILES, TOXIC, FLAMMABLE, N.O.S.
IMDG: NITRILES, TOXIC, FLAMMABLE, N.O.S.
IATA: NITRILES, TOXIC, FLAMMABLE, 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
2,2-dibromoacetonitrile 2,2-dibromoacetonitrile 3252-43-5 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Listed.
EC Inventory Listed.
United States Toxic Substances Control Act (TSCA) Inventory Listed.
China Catalog of Hazardous chemicals 2015 Not Listed.
New Zealand Inventory of Chemicals (NZIoC) Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Listed.
Vietnam National Chemical Inventory Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

16.Other information

Information on revision

Creation Date Aug 17, 2017
Revision Date Aug 17, 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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1H NMR : PredictExpand

NMR Spectrum 1H NMR : Predict

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3252-43-5 NMR spectrum
More
Exposure Route Type of Test Species Observed Dose/Duration Toxic Effects
Oral LD50 - Lethal dose, 50 percent kill Rodent - rat 245 mg/kg 1.Behavioral-somnolence (general depressed activity)
2.Behavioral-coma
3.Lungs, Thorax, or Respiration-respiratory depression
Oral LD50 - Lethal dose, 50 percent kill Rodent - mouse 289 mg/kg 1.Behavioral-somnolence (general depressed activity)
2.Behavioral-coma
3.Lungs, Thorax, or Respiration-respiratory depression
Intravenous LD50 - Lethal dose, 50 percent kill Rodent - mouse 56 mg/kg 1.Details of toxic effects not reported other than lethal dose value
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