107-12-0

Name Propionitrile
CAS 107-12-0
EINECS(EC#) 203-464-4
Molecular Formula C3H5N
MDL Number MFCD00001948
Molecular Weight 55.08
MOL File 107-12-0.mol

Chemical Properties

Appearance Propionitrile is a colorless liquid with a pleasant, sweetish, ethereal odor.
Melting point  -93 °C (lit.)
Boiling point  97 °C (lit.)
density  0.772 g/mL at 25 °C(lit.)
vapor pressure  53.33-63.195hPa at 22.05-25℃
refractive index  n20/D 1.366(lit.)
Fp  43 °F
storage temp.  Flammables area
solubility  soluble in water at 40°C is 11.9 g/100 g H20; miscible with alcohol, ether, dimethylformamide
form  Oil
color  Clear Colourless
PH 10 (20°C, 50g/L in H2O)
Stability: Stable. Flammable. Note low flash point. Incompatible with strong oxidising agents, strong bases, strong acids, strong reducing agents.
explosive limit 3.1-14% (v/v)
Water Solubility  decomposes. 5-10 g/100 mL at 23 ºC
FreezingPoint  -93℃
Specific Heat Capacity Cp(liquid):119.3J/(g·K),at 25℃
Usage Propionitrile is an intermediate for organic syntheses, e.g. Houben-Hoesch reaction, as well as for pharmaceuticals, e.g. ketoprofen and fragrances. Product Data Sheet
Merck  14,7827
BRN  773680
Henry's Law Constant 3.4×10-1 mol/(m3Pa) at 25℃, Brockbank (2013)
Dielectric constant 27.7(20℃)
Exposure limits TLV-TWA 14 mg/m3 (6 ppm) (NIOSH).
InChI 1S/C3H5N/c1-2-3-4/h2H2,1H3
InChIKey FVSKHRXBFJPNKK-UHFFFAOYSA-N
SMILES CCC#N
LogP -0.1-0.16
Dissociation constant 33.54
CAS DataBase Reference 107-12-0(CAS DataBase Reference)
NIST Chemistry Reference Propanenitrile(107-12-0)
EPA Substance Registry System 107-12-0(EPA Substance)

Safety Data

Symbol(GHS)  Flame (GHS02)Skull and Crossbones (GHS06)
GHS02,GHS06
Signal word  Danger
Hazard statements  H225-H300-H310-H319-H331
Precautionary statements  P210-P301+P310a-P303+P361+P353-P305+P351+P338-P405-P501a
Hazard Codes  F,T+,T
Risk Statements 
R11:Highly Flammable.
R20:Harmful by inhalation.
R25:Toxic if swallowed.
R27:Very Toxic in contact with skin.
R36:Irritating to the eyes.
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
Safety Statements 
S9:Keep container in a well-ventilated place .
S16:Keep away from sources of ignition-No smoking .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S36/37:Wear suitable protective clothing and gloves .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S27:Take off immediately all contaminated clothing .
OEB A
OEL TWA: 6 ppm (14 mg/m3)
RIDADR  UN 2404 3/PG 2
WGK Germany  1
RTECS  UF9625000
Autoignition Temperature 515°C
TSCA  Yes
REACH Registrations Active
HazardClass  3
PackingGroup  II
HS Code  29269095
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 2 Dermal
Acute Tox. 2 Oral
Acute Tox. 4 Inhalation
Eye Irrit. 2
Flam. Liq. 2
Safety Profile
Poison by ingestion, skin contact, intravenous, and intraperitoneal routes. Moderately toxic by inhalation. Experimental teratogenic effects. Other experimental reproductive effects. A skin and eye irritant. Dangerous fire hazard when exposed to heat, flame (sparks), oxidners. Mixture with N- bromosuccinimide may explode when heated. To fight fire, use water spray, foam, mist, CO2, dry chemical. When heated to decomposition it emits toxic fumes of NOx and CN-. Used as a solvent in petroleum refining, and as a raw material for drug manufacture. See also NITRILES.
Hazardous Substances Data 107-12-0(Hazardous Substances Data)
Toxicity
LD50 orally in rats: 39 mg/kg (Smyth)

Hazard Information

Material Safety Data Sheet(MSDS)

Well-known Reagent Company Product Information