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1-(4-Fluorophenyl)cyclohexanecarbonitrile

1-(4-Fluorophenyl)cyclohexanecarbonitrile structure

CAS No:
71486-43-6
Formula:
C13H14FN
Chemical Name:
1-(4-Fluorophenyl)cyclohexanecarbonitrile
Synonyms:
Cyclohexanecarbonitrile,1-(4-fluorophenyl)-;1-(4-Fluorophenyl)cyclohexanecarbonitrile;1-(4-Fluorophenyl)cyclohexane-1-carbonitrile
Categories:
Organic Chemistry > Organic Fluorine Compound

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Description

yellow crystalline mass

1-(4-Fluorophenyl)cyclohexanecarbonitrile Basic Attributes

Molecular Weight：

203.26

Exact Mass：

203.26

EC Number：

275-515-9

DSSTox ID：

DTXSID00221697

HScode：

2926909090

Characteristics

PSA：

23.8

XLogP3：

3.55118

Density：

1.09g/cm3

Melting Point：

33-38 °C

Boiling Point：

320.6ºC at 760 mmHg

Flash Point：

138ºC

Refractive Index：

1.529

Safety Information

hazard class code：

36/37/38-20/21/22

safety instructions：

36/37/39-26

Marks：

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:203.25
XLogP3:3.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:203.111027613
Monoisotopic Mass:203.111027613
Topological Polar Surface Area:23.8
Heavy Atom Count:15
Complexity:251
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(4-Fluorophenyl)cyclohexanecarbonitrile

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
Latest News
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1-(4-Fluorophenyl)cyclohexanecarbonitrile

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