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4-Pentenenitrile

4-Pentenenitrile structure

4-Pentenenitrile 

structure
  • CAS No:

    592-51-8

  • Formula:

    C5H7N

  • Chemical Name:

    4-Pentenenitrile

  • Synonyms:

    4-Pentenenitrile;4-Cyano-1-butene;3-Butenyl cyanide;4-Pentenonitrile

Description

colourless liquid


Liquid

4-Pentenenitrile Basic Attributes

81.118

81.12

209-762-0

89HYM37372

DTXSID0027228

Characteristics

23.8

1.47618

Liquid

0.8239 g/cm3 @ Temp: 24 °C

138-139 °C

140 °C

46.2ºC

n20/D 1.42(lit.)

INSOL IN WATER; MISCIBLE WITH ALCOHOL, ETHER

Safety Information

II

UN 3275 6.1/PG 2

3

20/21/22

28-36/37

Xn

Stable. Flammable. Incompatible with strong oxidizing agents. May generate toxic gases in a fire.

P280

H302-H312-H332

|Warning|H302 (95.12%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 41 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

1-cyano-3-butene|4 pentenenitrile

4-Pentenenitrile Use and Manufacturing

Methods of Manufacturing

REACTION OF BUTADIENE WITH HYDROGEN CYANIDE PRODUCES A MIXTURE OF 3- & 4-PENTENENITRILE ISOMERS-NO EVIDENCE THAT THE MIXT IS COMMERCIALLY SEPARATED

Uses

Intermediates

Production

(1979) NOT ISOLATED COMMERCIALLY IN U.S.|(1981) NOT ISOLATED COMMERCIALLY IN U.S.

All other basic organic chemical manufacturing|4-Pentenenitrile: ACTIVE

Computed Properties

Molecular Weight:81.12
XLogP3:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:81.057849228
Monoisotopic Mass:81.057849228
Topological Polar Surface Area:23.8
Heavy Atom Count:6
Complexity:75.2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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