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4-(Trifluoromethyl)phenyl isocyanate

4-(Trifluoromethyl)phenyl isocyanate structure

CAS No:
1548-13-6
Formula:
C8H4F3NO
Chemical Name:
4-(Trifluoromethyl)phenyl isocyanate
Synonyms:
Benzene,1-isocyanato-4-(trifluoromethyl)-;Isocyanic acid,α,α,α-trifluoro-p-tolyl ester;1-Isocyanato-4-(trifluoromethyl)benzene;p-Trifluoromethylphenyl isocyanate;4-(Trifluoromethyl)phenyl isocyanate;α,α,α-Trifluoro-p-tolyl isocyanate;Trifluoro-p-tolyl isocyanate;p-Trifluorophenyl isocyanate
Categories:
Chemical Reagents > Organic Reagents

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4-(Trifluoromethyl)phenyl isocyanate Basic Attributes

Molecular Weight：

187.119

Exact Mass：

187.12

EC Number：

216-284-6

HScode：

2929109000

Characteristics

PSA：

29.43000

XLogP3：

3.55

Appearance：

Clear colorless liquid

Density：

1.3363 g/cm³ @ Temp: 20 °C

Boiling Point：

58-59 °C @ Press: 10 Torr

Flash Point：

70.0±0.0 °C

Refractive Index：

1.462

Storage Conditions：

2-8ºC

Vapor Pressure：

1.33mmHg at 25°C

Safety Information

Packing level：

Hazard category：

6.1

Transport codes：

UN 3382 6.1/PG 1

wgk germany：

hazard class code：

R20/21/22

safety instructions：

S26-S36/37/39

Marks：

Xn: Harmful;T: Toxic;

Precautionary statement(s)：

P261-P280-P305 + P351 + P338-P342 + P311

Hazard Statements：

H302 + H312 + H332-H315-H319-H334-H335

GHS Classification：

|Danger|H302 (86.67%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P284, P285, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P305+P351+P338, P310, P312, P320, P321, P322, P330, P332+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 6 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:212
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4-(trifluoromethyl)phenyl isocyanate

CAS No.: 1548-13-6

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Guide of 4-(Trifluoromethyl)phenyl isocyanate

Basic Attributes
Characteristics
Safety Information
Computed Properties
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4-(Trifluoromethyl)phenyl isocyanate

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