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2-BROMOPHENYLISOCYANATE

2-BROMOPHENYLISOCYANATE structure

CAS No:
1592-00-3
Formula:
C7H4BrNO
Chemical Name:
2-BROMOPHENYLISOCYANATE
Synonyms:
O-BROMOPHENYLISOCYANATE;2-BROMOPHENYLISOCYANATE;1-Bromo-2-isocyanatobenzene;2-Bromophenylisocyanate,97%;2-Bromophenylisocyanate97%;2-BroMophenylisocyanate,97%1GR;ISOCYANICACID2-BROMOPHENYLESTER;1-bromo-2-isocyanatobenzene(SALTDATA:FREE)
Categories:
Chemical Reagents > Organic Reagents

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2-BROMOPHENYLISOCYANATE Basic Attributes

Molecular Weight：

198.02

Exact Mass：

196.947617

BRN：

3588447

DSSTox ID：

DTXSID10166606

HScode：

29291090

Characteristics

PSA：

29.4

XLogP3：

3.30

Appearance：

clear colorless liquid

Density：

1.5±0.1 g/cm3

Boiling Point：

91-92 °C (2 mmHg)

Flash Point：

107 °C

Refractive Index：

1.581

Storage Conditions：

Refrigerator (+4°C)

Vapor Pressure：

0.00352mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

2206

hazard class code：

42-36/37/38-20/21/22-23-22

safety instructions：

36/37/39-26-23-45

Marks：

Xn,T,Xi

Hazard note：

Toxic/Irritant

Precautionary statement(s)：

P261-P305 + P351 + P338-P311

Hazard Statements：

H302-H315-H319-H331-H334-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+P340, P304+P341, P305+P351+P338, P311, P312, P321, P330, P332+P313, P337+P313, P342+P311, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:198.02
XLogP3:3.4
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

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