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Home > Encyclopedia > 2,3,6-Trifluorobenzonitrile

2,3,6-Trifluorobenzonitrile

2,3,6-Trifluorobenzonitrile structure

2,3,6-Trifluorobenzonitrile 

structure
  • CAS No:

    136514-17-5

  • Formula:

    C7H2F3N

  • Chemical Name:

    2,3,6-Trifluorobenzonitrile

  • Synonyms:

    2,3,6-TRIFLUOROBENZONITRILE;Benzonitrile, 2,3,6-trifluoro- (9CI);3-flurobenzalcohol;2,3,6-Trifluorobenzonitrile 99%;2,3,6-Trifluorobenzonitrile99%;2,4-dichloro-3-cyano-5-fluorobenzoic acid;Benzonitrile, 2,3,6-trifluoro-

  • Categories:

    Organic Chemistry  >  Organic Fluorine Compound

2,3,6-Trifluorobenzonitrile Basic Attributes

157.09

157.013931

5427616

DTXSID40159829

2926909090

Characteristics

23.8

1.18

1.4±0.1 g/cm3

179°C

174 °F

1.464

4.73mmHg at 25°C

Safety Information

III

6.1

3276

3

20/21/22-36/37/38

26-36/37-38-36-23-9

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

|Danger|H301 (16.67%): Toxic if swallowed [Danger Acute toxicity, oral]|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 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2,3,6-Trifluorobenzonitrile Use and Manufacturing

Intermediate for medicine, pesticide, liquid crystal material.

Computed Properties

Molecular Weight:157.09
XLogP3:1.9
Hydrogen Bond Acceptor Count:4
Exact Mass:157.01393355
Monoisotopic Mass:157.01393355
Topological Polar Surface Area:23.8
Heavy Atom Count:11
Complexity:185
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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