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Cyclobutanecarbonitrile

Cyclobutanecarbonitrile structure

CAS No:
4426-11-3
Formula:
C5H7N
Chemical Name:
Cyclobutanecarbonitrile
Synonyms:
Cyclobutanecarbonitrile;Cyclobutanenitrile;Cyanocyclobutane;1800084-87-0
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Colorless pure liquid

Cyclobutanecarbonitrile Basic Attributes

Molecular Weight：

81.118

Exact Mass：

81.12

EC Number：

224-606-1

DSSTox ID：

DTXSID30196086

HScode：

2926909090

Characteristics

PSA：

23.8

XLogP3：

Density：

0.868 g/cm³ @ Temp: 17 °C

Boiling Point：

149.6 °C

Flash Point：

44.3±6.5 °C

Refractive Index：

1.446

Water Solubility：

Slightly soluble in water.

Safety Information

Packing level：

Hazard category：

6.1

Transport codes：

3275

hazard class code：

R10;R20/21/22

safety instructions：

S3/7-S9-S16-S36/37/39

Marks：

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P303+P361+P353, P304+P312, P304+P340, P311, P312, P321, P322, P330, P361, P363, P370+P378, P403+P233, P403+P235, P405, P501

Hazard Statements：

H226

GHS Classification：

|Danger|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P303+P361+P353, P304+P312, P304+P340, P311, P312, P321, P322, P330, P361, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:81.12
XLogP3:1
Hydrogen Bond Acceptor Count:1
Exact Mass:81.057849228
Monoisotopic Mass:81.057849228
Topological Polar Surface Area:23.8
Heavy Atom Count:6
Complexity:83.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Cyanocyclobutane

CAS No.: 4426-11-3

Content: 99.00%

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