107-12-0 structure, C3H5N
propionitrile
CAS No.: 107-12-0 Formula: C3H5N Molecular Weight: 55.07850
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propionitrile

CAS No.:

107-12-0

Formula:

C3H5N

Molecular Weight: 55.07850
Suppliers: All (1) China Suppliers(0) Price Available(0) Contractor(0)

Description

Propionitrile, also known as ethyl cyanide and propanenitrile, is an organic compound with the formula CH3CH2CN. It is a simple aliphatic nitrile. The compound is a colourless, water-soluble liquid. It is used as a solvent and a precursor to other organic compounds.

Basic Info

Chemical Name

propionitrile

Synonyms

Propiononitrile; n-Propanenitrile; Propionic nitrile; NSC 7966; Propionitrile (8CI); Ether cyanatus; 1-Methylacetonitrile; Hydrocyanic ether; Cyanoethane; Propylnitrile; Ethyl cyanide; Expand

CAS No.

107-12-0

Molecular Formula

C3H5N

Molecular Weight

55.07850

PSA

23.79000

LogP

0.91998

Numbering system

EINECS number 203-464-4
MDL number MFCD00001948
PubChem number 24853188
RTECS number UF9625000
BRN number 773680

Properties

Appearance & Physical State

Clear liquid

Density

0.77

Boiling Point

97ºC

Melting Point

-93ºC

Freezing Point

-93℃

Flash Point

6ºC

Refractive Index

1.365-1.367

Water Solubility

decomposes. 5-10 g/100 mL at 23 ºC

Stability

Stable. Flammable. Note low flash point. Incompatible with strong oxidising agents, strong bases, strong acids, strong reducing agents.

Storage Condition

Flammables area

Vapor Pressure

54.2mmHg at 25°C

Safety Info

RTECS

UF9625000

Hazard Class

3

Safety Statements

S16-S27-S45

HS Code

2926909090

Packing Group

II

WGK Germany

1

RIDADR

UN 2404

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 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name propionitrile

1.2 Other means of identification

Product number -
Other names CYANOETHANE

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. CBI,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

Flammable liquids, Category 2

Acute toxicity - Oral, Category 2

Acute toxicity - Dermal, Category 2

Eye irritation, Category 2

Acute toxicity - Inhalation, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H225 Highly flammable liquid and vapour

H300 Fatal if swallowed

H310 Fatal in contact with skin

H319 Causes serious eye irritation

H332 Harmful if inhaled

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.

P264 Wash ... thoroughly after handling.

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

P262 Do not get in eyes, on skin, or on clothing.

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

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

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.

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/...

P310 Immediately call a POISON CENTER/doctor/…

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

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.

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

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
propionitrile propionitrile 107-12-0 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

Fresh air, rest. Artificial respiration may be needed. No mouth-to-mouth artificial respiration. Refer immediately for medical attention. See Notes.

In case of skin contact

Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer immediately for medical attention.

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. Do NOT induce vomiting. Give one or two glasses of water to drink. Refer immediately for medical attention.

4.2 Most important symptoms/effects, acute and delayed

It is highly toxic. This super toxic compound has a probable oral lethal dose in humans of less than 5 mg/kg or a taste (less than 7 drops) for a 70 kg (150 lb.) person. It is a mild to moderate skin and eye irritant. (EPA, 1998)

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

Rapid support of respiration and circulation is essential to successful treatment of cyanide intoxication. Massive cyanide overdoses have survived with only good supportive care. Immediate attention should be directed toward assisted ventilation, administration of 100% oxygen, insertion of intravenous lines, and institution of cardiac monitoring. Obtain an arterial blood gas immediately and correct any severe metabolic acidosis (pH below 7.15). Oxygen (100%) should be used routinely in moderate or severely symptomatic patients even in the presence of a normal pO2, since 100% O2 increases O2 delivery, may reactivate cyanide-inhibited mitochondrial enzymes, and potentiates the effect of thiosulfate. /Cyanides/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

TO FIGHT FIRE, USE WATER SPRAY, FOAM, MIST, CARBON DIOXIDE, DRY CHEMICAL.

5.2 Specific hazards arising from the chemical

When heated to decomposition, it emits toxic fumes of nitrogen oxides and cyanide. 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. Generates cyanide ions. Poisonous on contact with acids. stable, but may become unstable at elevated temperatures and pressures. (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

Consult an expert! Evacuate danger area! Personal protection: chemical protection suit including self-contained breathing apparatus. Ventilation. Remove all ignition sources. 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. Separated from strong oxidants, acids and food and feedstuffs.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

Recommended Exposure Limit: 10 Hr Time-Weighted Avg: 6 ppm (14 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 Pleasant, sweetish, ethereal odor.
Melting point/ freezing point -93ºC
Boiling point or initial boiling point and boiling range 97ºC
Flammability Class IB Flammable Liquid: Fl.P. below 22.78°C and BP at or above 37.78°C.Highly flammable. Gives off irritating or toxic fumes (or gases) in a fire. Heating will cause rise in pressure with risk of bursting.
Lower and upper explosion limit / flammability limit Lower flammable limit: 3.1% by volume
Flash point 6ºC
Auto-ignition temperature 510°C
Decomposition temperature no data available
pH no data available
Kinematic viscosity 0.454 cP @ 15°C; 0.389 cP @ 30°C
Solubility In water:decomposes. 5-10 g/100 mL at 23 ºC
Partition coefficient n-octanol/water (log value) log Kow= 0.16
Vapour pressure 54.2mmHg at 25°C
Density and/or relative density 0.77
Relative vapour density 1.9 (EPA, 1998) (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

DANGEROUS FIRE HAZARD WHEN EXPOSED TO HEAT, FLAME (SPARKS), OXIDIZERS.The vapour mixes well with air, explosive mixtures are easily formed. The vapour is heavier than air and may travel along the ground; distant ignition possible.PROPIONITRILE is incompatible with strong acids, strong bases, strong oxidizing agents and strong reducing agents. After refluxing for 24 hours at 105°C, a mixture of this compound with N-bromosuccinimide exploded.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Strong oxidizers & reducing agents, strong acids & bases [Note: Hydrogen cyanide is produced when propionitrile is heated to decomposition].

10.6 Hazardous decomposition products

When heated to decomp it emits toxic fumes of /nitrogen oxides and cyanides/.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat oral 39 mg/kg
  • Inhalation: LC50 Mice inhalation 163 ppm/60 min
  • 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: LC50 Pimephales promelas (fathead minnow) 1520 mg/l/96 hr (confidence limit 1450 - 1580 mg/l), flow-through bioassay with measured concentrations, 24.4°C, dissolved oxygen 7.3 mg/l, hardness 47.0 mg/l calcium carbonate, alkalinity 40.1 mg/l calcium carbonate, and pH 7.6.
  • 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

The fungal strain Nocardia rhodochrous LL100-21 completely hydrolyzed propionitrile to propionic acid and ammonia.[DiGeronemo MT, Antoine AD; Appl Environ Microbiol 31 (6): 900-6 (1976)] Full text: PMC169854

12.3 Bioaccumulative potential

An estimated BCF of 3 was calculated for propionitrile(SRC), using log Kow of 0.16(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 propionitrile is estimated as 29(SRC), using a measured log Kow of 0.16(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that propionitrile 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: UN2404 IMDG: UN2404 IATA: UN2404

14.2 UN Proper Shipping Name

ADR/RID: PROPIONITRILE
IMDG: PROPIONITRILE
IATA: PROPIONITRILE

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
propionitrile propionitrile 107-12-0 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 19, 2017
Revision Date Aug 19, 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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107-12-0 NMR spectrum
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GC Analysis

Total 41 Documents >>
Column type Active phase Temperature (°C) Retention Index (I) Temperature Control Method
Capillary HP-1 100. 543.33 isothermal
Capillary HP-1 110. 543.83 isothermal
Capillary HP-1 120. 544.44 isothermal
Capillary HP-1 130. 545.05 isothermal
Capillary HP-1 140. 545.79 isothermal
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