109-75-1

Name 3-Butenenitrile
CAS 109-75-1
EINECS(EC#) 203-701-1
Molecular Formula C4H5N
MDL Number MFCD00001962
Molecular Weight 67.09
MOL File 109-75-1.mol
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Chemical Properties

Appearance CLEAR COLOURLESS TO YELLOW LIQUID
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
Fp  75 °F
storage temp.  Store at +2°C to +8°C.
solubility  soluble in Chloroform, Ethyl Acetate
form  Liquid
color  Colorless to pale brown
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 109-75-1(EPA Substance)
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Safety Data

Hazard Codes  T
Risk Statements 
R10:Flammable.
R21:Harmful in contact with skin.
R23/25:Toxic by inhalation and if swallowed .
R36/38:Irritating to eyes and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
RIDADR  UN 1992 3/PG 3
WGK Germany  3
RTECS  EM8050000
F  10
Autoignition Temperature 851 °F
TSCA  Yes
REACH Registrations Active
HazardClass  3
PackingGroup  III
HS Code  29269090
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)

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Material Safety Data Sheet(MSDS)

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