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3-Butenenitrile Structure

3-Butenenitrile

Chemical Properties

Melting point −87 °C (−125 °F; 186 K)
Boiling point 116 to 121 °C (241 to 250 °F; 389 to 394 K)
Density  0.834 g/cm3
refractive index  1.41
Flash point 24 °C (75 °F; 297 K)
storage temp.  Store at +2°C to +8°C.
solubility  soluble in Chloroform, Ethyl Acetate
form  liquid
color  colourless
Specific Gravity 0.834
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)
NIST Chemistry Reference 3-Butenenitrile(109-75-1)
EPA Substance Registry System 3-Butenenitrile (109-75-1)

Safety Information

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
F  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)

MSDS

Usage And Synthesis

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