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2-OXOCYCLOHEXANECARBONITRILE

2-OXOCYCLOHEXANECARBONITRILE structure

CAS No:
4513-77-3
Formula:
C7H9NO
Chemical Name:
2-OXOCYCLOHEXANECARBONITRILE
Synonyms:
2-OXOCYCLOHEXANECARBONITRILE;2-OXOCYCLOHEXANECARBONITRILE: 85-90%;2-ketocyclohexanecarbonitrile;2-oxocyclohexane-1-carbonitrile;1-Cyano-2-oxocyclohexane;Cyclohexanecarbonitrile, 2-oxo-;2-Cyanocyclohexanone;alpha-Cyanocyclohexanone
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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2-OXOCYCLOHEXANECARBONITRILE Basic Attributes

Molecular Weight：

123.15

Exact Mass：

123.068413911 g/mol

EC Number：

604-604-1

NSC Number：

2841

DSSTox ID：

DTXSID40277557

Characteristics

PSA：

40.9 Å²

Density：

1.05±0.1 g/cm3

Melting Point：

290°C

Boiling Point：

150°C 20mm

Safety Information

Hazard category：

IRRITANT

Transport codes：

3276

hazard class code：

20/21/22-36/37/38

safety instructions：

26-36/37/39

Marks：

GHS Classification：

|Warning|H302 (66.67%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:123.15
XLogP3:0.9
Hydrogen Bond Acceptor Count:2
Exact Mass:123.068413911
Monoisotopic Mass:123.068413911
Topological Polar Surface Area:40.9
Heavy Atom Count:9
Complexity:165
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2-OXOCYCLOHEXANECARBONITRILE

CAS No.: 4513-77-3

Content: 99.00%

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Guide of 2-OXOCYCLOHEXANECARBONITRILE

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