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3-Bromophenyl isocyanate

3-Bromophenyl isocyanate structure

CAS No:
23138-55-8
Formula:
C7H4BrNO
Chemical Name:
3-Bromophenyl isocyanate
Synonyms:
Benzene,1-bromo-3-isocyanato-;Isocyanic acid,m-bromophenyl ester;1-Bromo-3-isocyanatobenzene;3-Bromophenyl isocyanate;m-Bromophenyl isocyanate;1-Isocyanato-3-bromobenzene;3-Isocyanatobromobenzene
Categories:
Chemical Reagents > Organic Reagents

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Description

clear colorless to slightly yellow liquid

3-Bromophenyl isocyanate Basic Attributes

Molecular Weight：

198.02

Exact Mass：

198.02

BRN：

2802537

DSSTox ID：

DTXSID20177703

HScode：

29291000

Characteristics

PSA：

29.4

XLogP3：

3.47

Appearance：

Clear colorless to slightly yellow Liquid

Density：

1.5±0.1 g/cm3

Boiling Point：

73.5 °C @ Press: 6 Torr

Flash Point：

108 °C

Refractive Index：

1.581

Storage Conditions：

0-6°C

Vapor Pressure：

0.116mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

2206

wgk germany：

hazard class code：

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

safety instructions：

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

Marks：

Xn,Xi

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302 + H312 + H332-H315-H319-H335

GHS Classification：

|Danger|H302 (88.64%): 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, 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:198.02
XLogP3:3.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:196.94763
Monoisotopic Mass:196.94763
Topological Polar Surface Area:29.4
Heavy Atom Count:10
Complexity:154
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Sodium bicarbonate