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Home > Encyclopedia > 4-Chloro-3-fluorobenzonitrile

4-Chloro-3-fluorobenzonitrile

4-Chloro-3-fluorobenzonitrile structure

4-Chloro-3-fluorobenzonitrile 

structure
  • CAS No:

    110888-15-8

  • Formula:

    C7H3ClFN

  • Chemical Name:

    4-Chloro-3-fluorobenzonitrile

  • Synonyms:

    3-fluoro-4-chlorophenyl-carbonitrile;BUTTPARK 45\01-08;4-CHLORO-3-FLUOROBENZONITRILE;3-FLUORO-4-CHLOROBENZONITRILE;4-Chloro-3-fluorobenzonitrile 97%;4-Chloro-3-fluorobenzonitrile97%;4-chloro-3-fluorobenzontrile

  • Categories:

    Organic Chemistry  >  Organic Fluorine Compound

Description

Off-white powder

4-Chloro-3-fluorobenzonitrile Basic Attributes

155.56

154.993805

-0

DTXSID80371427

2926909090

Characteristics

23.8

2.4

1.33±0.1 g/cm3(Predicted)

79-81°C

214.0±20.0 °C(Predicted)

83.2±21.8 °C

1.537

0.159mmHg at 25°C

Safety Information

III

6.1

3439

20/21/22-36/37/38

26-36/37/39-36

T,Xi,Xn

Toxic

P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, P501

H301+H311+H331

|Danger|H301+H311+H331 (12.5%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 8 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Chloro-3-fluorobenzonitrile Use and Manufacturing

Methods of Manufacturing

The preparation method is to react 3, 4-dichlorobenzonitrile with potassium fluoride.

Uses

4-chloro-3-fluoro-benzonitrile is an intermediate of the herbicide cyhalofop-butyl (trade name Barnyard).

Computed Properties

Molecular Weight:155.55
XLogP3:2.4
Hydrogen Bond Acceptor Count:2
Exact Mass:154.9938050
Monoisotopic Mass:154.9938050
Topological Polar Surface Area:23.8
Heavy Atom Count:10
Complexity:162
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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