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168041

Cyclohexanecarbonitrile

98%

Synonym(s):

Cyanocyclohexane, Cyclohexanecarboxylic acid nitrile, Cyclohexanenitrile, Cyclohexyl cyanide, Hexahydrobenzonitrile

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About This Item

Linear Formula:
C6H11CN
CAS Number:
766-05-2
Molecular Weight:
109.17
NACRES:
NA.22
PubChem Substance ID:
24850230
UNSPSC Code:
12352100
EC Number:
212-157-4
MDL number:
MFCD00040444
Assay:
98%
Form:
liquid
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Quality Segment

assay

98%

form

liquid

refractive index

n20/D 1.4505 (lit.)

bp

75-76 °C/16 mmHg (lit.)

mp

11 °C (lit.)

density

0.919 g/mL at 25 °C (lit.)

functional group

nitrile

SMILES string

N#CC1CCCCC1

InChI

1S/C7H11N/c8-6-7-4-2-1-3-5-7/h7H,1-5H2

InChI key

VBWIZSYFQSOUFQ-UHFFFAOYSA-N

Application

Cyclohexanecarbonitrile was used as model substrate in rhodium-catalyzed direct ortho-arylation reactions of phenylazoles using arylboron reagents. It was used as probe in the synthesis of an asymmetric, C-magnesiated nitrile.

Pictograms

Skull and crossbones
GHS06

Signal Word

Danger

Hazard Codes

H301

Hazard Classifications

Acute Tox. 3 Oral

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point (°F)

149.0 °F - closed cup

Flash Point (°C)

65 °C - closed cup

PPE (personal protective equipment)

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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