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4-BROMO-2-CHLOROPHENYL ISOCYANATE

4-BROMO-2-CHLOROPHENYL ISOCYANATE structure

CAS No:
190774-47-1
Formula:
C7H3BrClNO
Chemical Name:
4-BROMO-2-CHLOROPHENYL ISOCYANATE
Synonyms:
Benzene, 4-bromo-2-chloro-1-isocyanato- (9CI);4-BROMO-2-CHLOROPHENYL ISOCYANATE 97%;4-Bromo-2-chlorophenyl isocyanate,98%;4-bromo-2-chloro-1-isocyanatobenzene(SALTDATA: FREE);496227_ALDRICH;SBB006641;ZINC02568113
Categories:
Chemical Reagents > Organic Reagents

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Description

off-white crystalline mass

4-BROMO-2-CHLOROPHENYL ISOCYANATE Basic Attributes

Molecular Weight：

232.46182

Exact Mass：

230.90900

DSSTox ID：

DTXSID00369861

HScode：

2929109000

Characteristics

PSA：

29.4

XLogP3：

3.06980

Density：

1.8072 (rough estimate)

Melting Point：

71-76 °C(lit.)

Boiling Point：

78°C/0.4mmHg

Flash Point：

107.7ºC

Refractive Index：

1.6110 (estimate)

Vapor Pressure：

0.0173mmHg at 25°C

Safety Information

Transport codes：

UN30779/PG3

wgk germany：

hazard class code：

20/21/22-36/37/38-51/53-42/43-22

safety instructions：

26-36/37/39-61-36/37-22

Marks：

Xn,N

Precautionary statement(s)：

P261-P273-P280-P305 + P351 + P338-P342 + P311

Hazard Statements：

H302-H315-H317-H319-H334-H335-H411

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P273, P280, P285, P301+P312, P302+P352, P304+P340, P304+P341, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P342+P311, P362, P363, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:232.46
XLogP3:4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:230.90865
Monoisotopic Mass:230.90865
Topological Polar Surface Area:29.4
Heavy Atom Count:11
Complexity:181
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-BROMO-2-CHLOROPHENYL ISOCYANATE

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
Latest News
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4-BROMO-2-CHLOROPHENYL ISOCYANATE

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