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Home > Encyclopedia > 2-(Trifluoromethyl)phenyl isocyanate

2-(Trifluoromethyl)phenyl isocyanate

2-(Trifluoromethyl)phenyl isocyanate structure

2-(Trifluoromethyl)phenyl isocyanate 

structure
  • CAS No:

    2285-12-3

  • Formula:

    C8H4F3NO

  • Chemical Name:

    2-(Trifluoromethyl)phenyl isocyanate

  • Synonyms:

    Benzene,1-isocyanato-2-(trifluoromethyl)-;Isocyanic acid,α,α,α-trifluoro-o-tolyl ester;1-Isocyanato-2-(trifluoromethyl)benzene;2-(Trifluoromethyl)phenyl isocyanate;o-(Trifluoromethyl)phenyl isocyanate;α,α,α-Trifluoro-o-tolyl isocyanate

  • Categories:

    Chemical Reagents  >  Organic Reagents

Description

clear colorless to light yellow liquid

2-(Trifluoromethyl)phenyl isocyanate Basic Attributes

187.12

187.12

977056

218-925-5

DTXSID10177393

29291090

Characteristics

29.4

3.55

Clear colorless to light yellow Liquid

1.3±0.1 g/cm3

70-72 °C @ Press: 20 Torr

138 °F

1.462

Hydrolyzes in water.

0-6°C

Safety Information

II

6.1

UN 3384 6.1/PG 1

2

36/37/38

26-27-36/37/39

NR0201000

Xi,T

Toxic/Lachrymatory/Keep Cold

P261-P305 + P351 + P338

H226-H315-H319-H335

|Danger|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P280, P284, P285, P302+P352, P303+P361+P353, P304+P340, P304+P341, P305+P351+P338, P310, P312, P320, P321, P332+P313, P337+P313, P342+P311, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 77 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:187.12
XLogP3:3.6
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:187.02449824
Monoisotopic Mass:187.02449824
Topological Polar Surface Area:29.4
Heavy Atom Count:13
Complexity:220
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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