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3,5-Bis(trifluoromethyl)phenyl isocyanate

3,5-Bis(trifluoromethyl)phenyl isocyanate structure

CAS No:
16588-74-2
Formula:
C9H3F6NO
Chemical Name:
3,5-Bis(trifluoromethyl)phenyl isocyanate
Synonyms:
Benzene,1-isocyanato-3,5-bis(trifluoromethyl)-;Isocyanic acid,α,α,α,α′,α′,α′-hexafluoro-3,5-xylyl ester;1-Isocyanato-3,5-bis(trifluoromethyl)benzene;3,5-Bis(trifluoromethyl)phenyl isocyanate;3,5-Di(trifluoromethyl)phenyl isocyanate
Categories:
Chemical Reagents > Organic Reagents

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Description

clear colorless liquid

3,5-Bis(trifluoromethyl)phenyl isocyanate Basic Attributes

Molecular Weight：

255.12

Exact Mass：

255.12

BRN：

542272

DSSTox ID：

DTXSID00369841

HScode：

29291090

Characteristics

PSA：

29.4

XLogP3：

5.60

Appearance：

Clear colorless Liquid

Density：

1.476 g/mL at 25 °C(lit.)

Boiling Point：

63 °C @ Press: 14 Torr

Flash Point：

154 °F

Refractive Index：

n 20/D 1.43(lit.)

Water Solubility：

Hydrolyzes with water.

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 2206 6.1/PG 3

wgk germany：

hazard class code：

20/21/22-36/37/38

safety instructions：

23-26-27-28-36/37/39

Marks：

Xn,Xi

Hazard note：

Irritant

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H312-H315-H319-H332-H335

GHS Classification：

|Danger|H302 (95.45%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P285, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:255.12
XLogP3:5.1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:1
Exact Mass:255.01188269
Monoisotopic Mass:255.01188269
Topological Polar Surface Area:29.4
Heavy Atom Count:17
Complexity:294
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,5-Bis(trifluoromethyl)phenyl isocyanate

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
Recommended Suppliers
Latest News
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3,5-Bis(trifluoromethyl)phenyl isocyanate

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