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2-Butenenitrile

2-Butenenitrile structure

CAS No:
4786-20-3
Formula:
C4H5N
Chemical Name:
2-Butenenitrile
Synonyms:
2-Butenenitrile;Crotononitrile;1-Cyanopropene;1-Propenyl cyanide;Crotonic nitrile;β-Methylacrylonitrile;NSC 165574
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

CLEAR LIGHT YELLOW LIQUID

2-Butenenitrile Basic Attributes

Molecular Weight：

67.089

Exact Mass：

67.09

EC Number：

225-335-1

UN Number：

2924

DSSTox ID：

DTXSID0063604

HScode：

29269090

Characteristics

PSA：

23.79000

XLogP3：

0.71

Density：

0.8±0.1 g/cm3

Melting Point：

-51.5ºC

Boiling Point：

120.5 °C

Flash Point：

20.0±0.0 °C

Refractive Index：

1.418

Water Solubility：

0.37 M

Vapor Pressure：

31.95 mmHg

Safety Information

Packing level：

Hazard category：

3.1

Transport codes：

UN 2924 3/PG 2

wgk germany：

hazard class code：

R16;R26;R36/37/38

safety instructions：

S16-S26-S36

RTECS Number：

GQ6322000

Marks：

Xn: Harmful;F: Flammable;

Precautionary statement(s)：

P210-P261-P305 + P351 + P338

Hazard Statements：

H225-H302-H315-H319-H335

Fire Hazards：

Flammable - 3rd degree, Reactive - 1st degree

GHS Classification：

|Danger|H225 (99.04%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 104 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2-butenenitrile

2-Butenenitrile Use and Manufacturing

Manufacturing Info：

2-Butenenitrile: ACTIVE

Use Classification：

Fire Hazards -> Flammable - 3rd degree, Reactive - 1st degree

Computed Properties

Molecular Weight:67.09
XLogP3:0.8
Hydrogen Bond Acceptor Count:1
Exact Mass:67.042199164
Monoisotopic Mass:67.042199164
Topological Polar Surface Area:23.8
Heavy Atom Count:5
Complexity:72.9
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 2-Butenenitrile

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Crotononitrile

CAS No.: 4786-20-3

Grade: Industrial Grade

Content: 99%

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