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1-(4-Fluorophenyl)-4-oxocyclohexanecarbonitrile

1-(4-Fluorophenyl)-4-oxocyclohexanecarbonitrile structure

CAS No:
56326-98-8
Formula:
C13H12FNO
Chemical Name:
1-(4-Fluorophenyl)-4-oxocyclohexanecarbonitrile
Synonyms:
Cyclohexanecarbonitrile,1-(4-fluorophenyl)-4-oxo-;1-(4-Fluorophenyl)-4-oxocyclohexanecarbonitrile;4-Cyano-4-(4-fluorophenyl)cyclohexanone;4-Cyano-4-(4-fluorophenyl)cyclohexan-1-one
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Pharmaceutical Intermediates > Bulk Drug Intermediates

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1-(4-Fluorophenyl)-4-oxocyclohexanecarbonitrile Basic Attributes

Molecular Weight：

217.24

Exact Mass：

217.24

EC Number：

260-111-7

UNII：

2K2RPS539D

DSSTox ID：

DTXSID3057777

HScode：

2926909090

Characteristics

PSA：

40.9

XLogP3：

1.59

Density：

1.2±0.1 g/cm3

Melting Point：

80-84 °C

Boiling Point：

373.6±42.0 °C at 760 mmHg

Flash Point：

179.8±27.9 °C

Refractive Index：

1.541

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN3439

Precautionary statement(s)：

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, 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+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 14 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:217.24
XLogP3:1.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:217.090292168
Monoisotopic Mass:217.090292168
Topological Polar Surface Area:40.9
Heavy Atom Count:16
Complexity:312
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Magnesium sulfate heptahydrate

Tetrahydrofuran

Potassium hydroxide

Ethyl acetate

Hydrochloric acid

PETROLEUM ETHER

Potassium tert-butoxide

o-Xylene

Methyl acrylate

Recommended Suppliers of 1-(4-Fluorophenyl)-4-oxocyclohexanecarbonitrile

HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

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4-Cyano-4-(4-fluorophenyl)cyclohexanone

CAS No.: 56326-98-8

Content: 99.00%

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Hangzhou KieRay Chem Co.,LTD Contact Supplier

CN
YRS

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Manufactory Supplier of fine chemicals,pharmaceutical materials

4-CYANO-4-(4-FLUOROPHENYL)CYCLOHEXANONE

Unit Price: nullnull /null null

CAS No.: 56326-98-8

Grade: industrial Grade

Content: 98%

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Guide of 1-(4-Fluorophenyl)-4-oxocyclohexanecarbonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties
Material
Recommended Suppliers
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1-(4-Fluorophenyl)-4-oxocyclohexanecarbonitrile

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