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1-Phenylcyclohexanecarbonitrile

1-Phenylcyclohexanecarbonitrile structure

CAS No:
2201-23-2
Formula:
C13H15N
Chemical Name:
1-Phenylcyclohexanecarbonitrile
Synonyms:
Cyclohexanecarbonitrile,1-phenyl-;1-Phenylcyclohexanecarbonitrile;1-Phenylcyclohexanenitrile;NSC 106872;1-Phenyl-1-cyclohexanecarbonitrile;1-Phenylcyclohexane-1-carbonitrile

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Description

CLEAR COLOURLESS TO PALE BROWN LIQUID

1-Phenylcyclohexanecarbonitrile Basic Attributes

Molecular Weight：

185.26500

Exact Mass：

185.26

EC Number：

218-608-1

NSC Number：

106872

DSSTox ID：

DTXSID70176448

HScode：

2926909090

Characteristics

PSA：

23.79000

XLogP3：

3.41208

Density：

1.01

Boiling Point：

125-127 °C @ Press: 3 Torr

Flash Point：

120.6ºC

Refractive Index：

1.5332-1.5352

Safety Information

Packing level：

III

Transport codes：

UN 3276 6.1/PG III

hazard class code：

R20/21/22;R36/37/38

safety instructions：

36/37/39-26

Marks：

Xn: Harmful;

Precautionary statement(s)：

P264, P270, P301+P310, P321, P330, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P301+P310, P321, P330, P405, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:185.26
XLogP3:3.5
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:185.120449483
Monoisotopic Mass:185.120449483
Topological Polar Surface Area:23.8
Heavy Atom Count:14
Complexity:223
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: propene; retratutide; linea semilunaris; chlorphenamine; triethyl phosphate; bioglutide

Guide of 1-Phenylcyclohexanecarbonitrile

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties

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