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4-Fluorobenzonitrile

4-Fluorobenzonitrile structure

CAS No:
1194-02-1
Formula:
C7H4FN
Chemical Name:
4-Fluorobenzonitrile
Synonyms:
Benzonitrile,4-fluoro-;Benzonitrile,p-fluoro-;4-Fluorobenzonitrile;p-Fluorobenzonitrile;p-Cyanofluorobenzene;1-Cyano-4-fluorobenzene;4-Fluorocyanobenzene;4-Cyanofluorobenzene;p-Fluorophenyl cyanide;NSC 88330;Para-fluorobenzonitrile
Categories:
Organic Chemistry > Organic Fluorine Compound

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Description

white crystalline low melting solid

4-Fluorobenzonitrile Basic Attributes

Molecular Weight：

121.11

Exact Mass：

121.11

BRN：

2041517

EC Number：

214-784-9

NSC Number：

88330

DSSTox ID：

DTXSID6061600

HScode：

29269095

Characteristics

PSA：

23.8

XLogP3：

2.1

Appearance：

White Crystalline Low Melting Solid

Density：

1.32 g/cm³

Melting Point：

34.8 °C

Boiling Point：

188.8 °C

Flash Point：

150 °F

Refractive Index：

1.4925

Water Solubility：

Insoluble in water.

Storage Conditions：

2-8°C

Vapor Pressure：

0.564mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 1325 4.1/PG 2

wgk germany：

hazard class code：

20/21/22-36/37/38

safety instructions：

36/37-36/37/39-26-36

RTECS Number：

DI4368500

Marks：

Xn,T,Xi

Hazard note：

Toxic

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P280

Hazard Statements：

H302 + H312 + H332

GHS Classification：

|Warning|H228 (12.5%): Flammable solid [Danger Flammable solids]|P210, P240, P241, 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, P370+P378, P403+P233, P405, and P501|Aggregated GHS information provided by 56 companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Fluorobenzonitrile Use and Manufacturing

Uses

4-Fluorobenzonitrile is used in the synthesis of flurenones, pharmaceutical prerequisites, as well as opiod receptor antagonists. Used as pesticide and pharmaceutical intermediate

Manufacturing Info：

Benzonitrile, 4-fluoro-: ACTIVE

Computed Properties

Molecular Weight:121.11
XLogP3:2.1
Hydrogen Bond Acceptor Count:2
Exact Mass:121.032777294
Monoisotopic Mass:121.032777294
Topological Polar Surface Area:23.8
Heavy Atom Count:9
Complexity:127
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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