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Cyclohexanecarbonitrile

Cyclohexanecarbonitrile structure

CAS No:
766-05-2
Formula:
C7H11N
Chemical Name:
Cyclohexanecarbonitrile
Synonyms:
Cyclohexanecarbonitrile;Hexahydrobenzonitrile;Cyanocyclohexane;Cyclohexyl cyanide;Cyclohexanecarboxylic acid nitrile;Cyclohexanenitrile;NSC 17557;1800084-85-8
Categories:
Chemical Reagents > Organic Reagents

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Cyclohexanecarbonitrile Basic Attributes

Molecular Weight：

109.172

Exact Mass：

109.17

EC Number：

212-157-4

NSC Number：

17557

DSSTox ID：

DTXSID30227400

Characteristics

PSA：

23.8

XLogP3：

2.1

Density：

0.919 g/cm³ @ Temp: 19 °C

Melting Point：

11 °C

Boiling Point：

75-77 °C @ Press: 16 Torr

Flash Point：

68.8±6.5 °C

Refractive Index：

1.452

Safety Information

Transport codes：

UN 3276 6.1/PG 3

wgk germany：

hazard class code：

R23/24/25;R36/37/38

safety instructions：

S36/37-S45-S36/37/39-S26-S23

RTECS Number：

GU7280000

Marks：

T:Toxic;

Precautionary statement(s)：

P280-P301 + P310-P312

Hazard Statements：

H301 + H311

GHS Classification：

|Danger|H301 (97.56%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P280, P301+P310, P302+P352, P312, P321, P322, P330, P361, P363, P405, and P501|Aggregated GHS information provided by 41 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

cyanocyclohexane

Computed Properties

Molecular Weight:109.17
XLogP3:2.1
Hydrogen Bond Acceptor Count:1
Exact Mass:109.089149355
Monoisotopic Mass:109.089149355
Topological Polar Surface Area:23.8
Heavy Atom Count:8
Complexity:103
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Cyclohexanecarbonitrile

CAS No.: 766-05-2

Content: 99.00%

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