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cis-Crotononitrile

cis-Crotononitrile structure

CAS No:
1190-76-7
Formula:
C4H5N
Chemical Name:
cis-Crotononitrile
Synonyms:
2-Butenenitrile,(2Z)-;Crotononitrile,(Z)-;Isocrotononitrile;2-Butenenitrile,(Z)-;cis-1-Propenyl cyanide;cis-Crotononitrile;Isocrotonic nitrile;cis-β-Methylacrylonitrile;cis-2-Butenenitrile;cis-Cyanopropene;(Z)-Crotononitrile;(Z)-2-Butenenitrile

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cis-Crotononitrile Basic Attributes

Molecular Weight：

67.091

Exact Mass：

67.09

EC Number：

225-335-1

UNII：

F827TLS5FM

NSC Number：

165574

UN Number：

2924

DSSTox ID：

DTXSID0063604

Characteristics

PSA：

23.8

XLogP3：

0.8

Density：

0.824 g/cm³ @ Temp: 20 °C

Melting Point：

-72.6 °C

Boiling Point：

107.5 °C

Refractive Index：

1.4134

Water Solubility：

0.37 M

Vapor Pressure：

31.95 mmHg

Safety Information

Packing level：

Hazard category：

3.1

Transport codes：

2924

Precautionary statement(s)：

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, P501

Hazard Statements：

H225

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

cis-Crotononitrile 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
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of cis-Crotononitrile

Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties

cis-Crotononitrile

SDS

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