Fumaronitrile
Catalog Number
ACM764421
CAS
764-42-1
IUPAC Name
(E)-but-2-enedinitrile
Molecular Weight
78.069999999999993
Molecular Formula
C4H2N2
Product Information
Description
Fumaronitrile appears as needles or brown crystalline solid. (NTP, 1992)
Canonical SMILES
C(=CC#N)C#N
InChI
InChI=1S/C4H2N2/c5-3-1-2-4-6/h1-2H/b2-1+
InChI Key
KYPOHTVBFVELTG-OWOJBTEDSA-N
Boiling Point
186 °C
Melting Point
97 °C
Flash Point
186°C
Purity
>98.0%(GC)
Density
1.249 g/cm3 (20 ºC)
Solubility
soluble in Benzene,Acetone,Ether,Ethanol
Appearance
White to Light yellow powder to crystal
Complexity
119
Exact Mass
78.021798g/mol
Hazard Statements
H301 + H311 + H331 : Toxic if swallowed, in contact with skin or if inhaled.H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
6
MDL Number
MFCD00001928
Monoisotopic Mass
78.021798g/mol
Precautionary Statements
P501 : Dispose of contents/ container to an approved waste disposal plant.P261 : Avoid breathing dust/ fume/ gas/ mist/ vapors/ spray.P270 : Do not eat, drink or smoke when using this product.P271 : Use only outdoors or in a well-ventilated area.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.P301 + P310 + P330 : IF SWALLOWED: Immediately call a POISON CENTER/doctor. Rinse mouth.P302 + P352 + P312 : IF ON SKIN: Wash with plenty of water.Call a POISON CENTER/doctor if you feel unwell.P304 + P340 + P311 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Call a POISON CENTER/doctor.P403 + P233 : Store in a well-ventilated place. Keep container tightly closed.P405 : Store locked up.
Reaxys Registry Number
969245
Refractive Index
1.4920 (589.3 nm 20℃)
Rotatable Bond Count
0
Signal Word
Danger
Specific Gravity
1.05
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