78-82-0 structure, C4H7N
2-methylpropanenitrile
CAS No.: 78-82-0 Formula: C4H7N Molecular Weight: 69.10510

2-methylpropanenitrile

CAS No.:

78-82-0

Formula:

C4H7N

Molecular Weight: 69.10510
Suppliers: All(0) China Suppliers(0) Price Available(0) Contractor(0)

Description

Isopropyl cyanide is a complex organic molecule that has been recently found in several meteorites arrived from space. The singularity of this chemical is due to the fact that it is the only one among the molecules arriving from the universe that has a branched, rather than straight, carbon backbone which is larger than usual, in comparison with others.

Numbering system

MDL number MFCD00001873
EINECS number 201-147-5

Properties

Appearance & Physical State

Clear liquid

Density

0.76

Boiling Point

107-108ºC

Melting Point

-72ºC

Flash Point

8ºC

Refractive Index

1.372-1.374

Water Solubility

35 g/L (20 ºC)

Stability

Stable. Flammable. May form explosive mixtures with air. Incompatible with strong oxidizing agents.

Storage Condition

Flammables area

Vapor Density

2.38 (vs air)

Vapor Pressure

100 mm Hg ( 54.4 °C)

Safety Info

RTECS

TZ4900000

Hazard Class

3

Safety Statements

S16-S23-S24/25

WGK Germany

2

Packing Group

II

RIDADR

UN 2284

Risk Statements

R11; R23/24/25

Hazard Codes

F; 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 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-methylpropanenitrile

1.2 Other means of identification

Product number -
Other names Propanenitrile,2-methyl

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Intermediates
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 2

Acute toxicity - Dermal, Category 3

Acute toxicity - Inhalation, Category 3

Specific target organ toxicity – single exposure, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H300 Fatal if swallowed

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.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

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/…

P308+P311 IF exposed or concerned: 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
2-methylpropanenitrile 2-methylpropanenitrile 78-82-0 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

Poisonous; may be fatal if inhaled, swallowed, or absorbed through skin. Contact may cause burns to skin and eyes. (Non-Specific -- Nitriles) Primarily, they are skin and eye irritants. Large doses cause collapse and stop breathing. (EPA, 1998)

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

FIRST AID & MEDICAL THERAPY SHOULD BE SAME AS FOR HCN.

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

ALCOHOL FOAM. WATER MAY BE INEFFECTIVE.

5.2 Specific hazards arising from the chemical

Vapor may explode if ignited in an enclosed area. Toxic oxides of nitrogen are produced during combustion. It is a flammable/combustible material and may be ignited by heat, sparks, or flames. Vapors may travel to a source of ignition and flash back. Container may explode in heat of fire. Vapor explosion and poison hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Hazardous polymerization may not occur. (EPA, 1998)

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

Recommended Exposure Limit: 10 Hr Time-Weighted avg: 8 ppm (22 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 liquid
Colour Colorless liquid
Odour Almond-like odor.
Melting point/ freezing point -72°C(lit.)
Boiling point or initial boiling point and boiling range 108°C
Flammability Class IB Flammable Liquid: Fl.P. below 22.78°C and BP at or above 37.78°C.
Lower and upper explosion limit / flammability limit no data available
Flash point 8°C(lit.)
Auto-ignition temperature 900 DEG F (482 DEG C)
Decomposition temperature no data available
pH no data available
Kinematic viscosity 0.551 cP @ 15°C; 0.456 cP @ 30 deg
Solubility In water:35 g/L (20 ºC)
Partition coefficient n-octanol/water (log value) log Kow = 0.46
Vapour pressure 100 mm Hg ( 54.4 °C)
Density and/or relative density 0.76
Relative vapour density 2.38 (vs 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

A very dangerous fire hazard when exposed to heat or flame.ISOBUTYRONITRILE is incompatible with the following: Oxidizers, reducing agents, strong acids & bases (NIOSH, 2016).

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Oxidizers, reducing agents, strong acids & bases.

10.6 Hazardous decomposition products

When heated to decomposition it emits toxic fumes of NOx and CN- /nitrogen oxides and cyanides/.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat oral 100 mg/kg
  • 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

Enzyme-catalyzed hydrolysis of nitriles has been shown to proceed by two distinct routes(1,2); a nitrilase transforms the nitriles directly into acids plus ammonium ion, or a nitrile hydratase forms the amide which is hydrolyzed to acid plus ammonium ion by amidase(1,2). 2-Methylpropanenitrile has been shown to biodegrade readily using the Japanese MITI screening test (2 week incubation, 100 ppm concn, activated sludge seed) with theoretical BODs of 53.9-66.3%(3,4). In another study, a mixed microbial culture, isolated from an environment contaminated with organic cyanides and PCBs, utilized 2-methylpropanenitrile as the sole source of carbon and nitrogen(5). The mixed microbial culture was grown for 48 hrs at pH 7 with 1 g/l of 2-methylpropanenitrile; the final pH and ammonia concn were determined to be 8.21 and 51.6 umol/ml, respectively(5).

12.3 Bioaccumulative potential

An estimated BCF of 3 was calculated for 2-methylpropanenitrile(SRC), using a log Kow of 0.46(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

The Koc of 2-methylpropanenitrile is estimated as 42(SRC), using a measured log Kow of 0.46(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 2-methylpropanenitrile is expected to have very high 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: UN2284 IMDG: UN2284 IATA: UN2284

14.2 UN Proper Shipping Name

ADR/RID: ISOBUTYRONITRILE
IMDG: ISOBUTYRONITRILE
IATA: ISOBUTYRONITRILE

14.3 Transport hazard class(es)

ADR/RID: 3 IMDG: 3 IATA: 3

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
2-methylpropanenitrile 2-methylpropanenitrile 78-82-0 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 Listed.
New Zealand Inventory of Chemicals (NZIoC) Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Listed.
Vietnam National Chemical Inventory Not Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

16.Other information

Information on revision

Creation Date Aug 12, 2017
Revision Date Aug 12, 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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NMR Spectrum 1H NMR : Predict

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78-82-0 NMR spectrum
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