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2-Fluoro-5-(trifluoromethoxy)benzonitrile

2-Fluoro-5-(trifluoromethoxy)benzonitrile structure

2-Fluoro-5-(trifluoromethoxy)benzonitrile 

structure
  • CAS No:

    886498-08-4

  • Formula:

    C8H3F4NO

  • Chemical Name:

    2-Fluoro-5-(trifluoromethoxy)benzonitrile

  • Synonyms:

    Benzonitrile,2-fluoro-5-(trifluoromethoxy)-;2-Fluoro-5-(trifluoromethoxy)benzonitrile;2-Fluoro-5-trifluoromethoxybenzonitrile

  • Categories:

    Organic Chemistry  >  Organic Fluorine Compound

2-Fluoro-5-(trifluoromethoxy)benzonitrile Basic Attributes

205.11

205.11

DTXSID20411038

2926909090

Characteristics

33

2.9

1.42g/cm3

189.3°C at 760 mmHg

68.3ºC

1.4385

Safety Information

III

6.1

UN3276

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 (14.29%): 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 7 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:205.11
XLogP3:2.9
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:205.01507637
Monoisotopic Mass:205.01507637
Topological Polar Surface Area:33
Heavy Atom Count:14
Complexity:244
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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