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CYCLOBUTYLACETONITRILE

CYCLOBUTYLACETONITRILE structure

CAS No:
4426-03-3
Formula:
C6H9N
Chemical Name:
CYCLOBUTYLACETONITRILE
Synonyms:
Cyclobutylacetonitrile;Cyclobutaneacetonitrile;2-Cyclobutylacetonitrile;2-cyclobutylethanenitrile;CTK1D2499;DTXSID60629397;Cyclobutylacetonitrile, AldrichCPR;ALBB-023585;SBB071683;ZINC19093253
Categories:
Organic Chemistry > Ethers and Derivatives

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CYCLOBUTYLACETONITRILE Basic Attributes

Molecular Weight：

95.145

Exact Mass：

95.07350

DSSTox ID：

DTXSID60629397

HScode：

2926909090

Characteristics

PSA：

23.8

XLogP3：

1.70018

Density：

0.933g/cm3

Boiling Point：

181.2ºC at 760 mmHg

Flash Point：

70.1ºC

Refractive Index：

1.455

Safety Information

Transport codes：

UN 2811 6.1 / PGIII

safety instructions：

Marks：

Precautionary statement(s)：

P301 + P310-P305 + P351 + P338

Hazard Statements：

H301-H319

GHS Classification：

|Danger|H227 (100%): Combustible liquid [Warning Flammable liquids]|P210, P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:95.14
XLogP3:1.6
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:95.073499291
Monoisotopic Mass:95.073499291
Topological Polar Surface Area:23.8
Heavy Atom Count:7
Complexity:94
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CYCLOBUTYLACETONITRILE

CAS No.: 4426-03-3

Grade: Industrial Grade

Content: 99.0%

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