3-Butenenitrile Structure

3-Butenenitrile

Chemical Properties

Melting point -87°C
Boiling point 116-121 °C(lit.)
Density  0.834 g/mL at 25 °C(lit.)
refractive index  n20/D 1.406
Flash point 75 °F
storage temp.  Store at +2°C to +8°C.
solubility  soluble in Chloroform, Ethyl Acetate
form  Liquid
Specific Gravity 0.834
color  Colorless to pale brown
Odor onion odor
Water Solubility  Not miscible in water.
Merck  14,290
BRN  605352
Henry's Law Constant 2.0×10-1 mol/(m3Pa) at 25℃, Brockbank (2013)
Exposure limits NIOSH: IDLH 25 mg/m3
InChI 1S/C4H5N/c1-2-3-4-5/h2H,1,3H2
InChIKey SJNALLRHIVGIBI-UHFFFAOYSA-N
SMILES C=CCC#N
CAS DataBase Reference 109-75-1(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII 527U1WJJ18
NIST Chemistry Reference 3-Butenenitrile(109-75-1)
EPA Substance Registry System 3-Butenenitrile (109-75-1)
UNSPSC Code 12352117
NACRES NA.23

Safety

Symbol(GHS) GHS hazard pictogramsGHS hazard pictograms
Signal wordDanger
Hazard statements H226-H301+H331-H312-H315-H319
Precautionary statements P210-P280-P301+P310-P303+P361+P353-P304+P340+P311-P305+P351+P338
Hazard Codes  T
Risk Statements  10-21-23/25-36/38
Safety Statements  26-36/37/39-45
RIDADR  UN 1992 3/PG 3
WGK Germany  3
RTECS  EM8050000
10
Autoignition Temperature 851 °F
TSCA  TSCA listed
HS Code  2926 90 70
HazardClass  3
PackingGroup  III
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 3 Inhalation
Acute Tox. 3 Oral
Acute Tox. 4 Dermal
Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
Toxicity LD50 orally in rats: 0.115 g/kg (Smyth)
NFPA 704:
3
4 0

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