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4-(Trifluoromethoxy)phenyl isocyanate

4-(Trifluoromethoxy)phenyl isocyanate structure

CAS No:
35037-73-1
Formula:
C8H4F3NO2
Chemical Name:
4-(Trifluoromethoxy)phenyl isocyanate
Synonyms:
Benzene,1-isocyanato-4-(trifluoromethoxy)-;1-Isocyanato-4-(trifluoromethoxy)benzene;p-(Trifluoromethoxy)phenyl isocyanate;4-(Trifluoromethoxy)phenyl isocyanate;Isocyanato-4-(trifluoromethoxy)benzene
Categories:
Chemical Reagents > Organic Reagents

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Description

clear colorless to slightly yellow liquid

4-(Trifluoromethoxy)phenyl isocyanate Basic Attributes

Molecular Weight：

203.12

Exact Mass：

203.12

BRN：

977669

EC Number：

252-328-0

DSSTox ID：

DTXSID1067883

HScode：

2929109000

Characteristics

PSA：

38.7

XLogP3：

3.44

Appearance：

clear colorless to slightly yellow liquid

Density：

1.3±0.1 g/cm3

Melting Point：

-29°C

Boiling Point：

78 °C (22 mmHg)

Flash Point：

158 °F

Refractive Index：

1.457

Water Solubility：

Reacts with water.

Storage Conditions：

Refrigerator (+4°C)

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 2206 6.1/PG 3

wgk germany：

hazard class code：

20/21/22-36/37/38-42

safety instructions：

26-36-36/37-22

Marks：

Xn,Xi

Hazard note：

Irritant

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H312-H315-H319-H332-H335

GHS Classification：

|Warning|H302 (97.83%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-(Trifluoromethoxy)phenyl isocyanate Use and Manufacturing

Uses

Used as an intermediate for the synthesis of medicine or pesticides

Manufacturing Info：

Benzene, 1-isocyanato-4-(trifluoromethoxy)-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Computed Properties

Molecular Weight:203.12
XLogP3:3.9
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:203.01941286
Monoisotopic Mass:203.01941286
Topological Polar Surface Area:38.7
Heavy Atom Count:14
Complexity:227
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 35037-73-1

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Guide of 4-(Trifluoromethoxy)phenyl isocyanate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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4-(Trifluoromethoxy)phenyl isocyanate

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