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4-Amino-2-bromophenol

4-Amino-2-bromophenol structure

CAS No:
16750-67-7
Formula:
C6H6BrNO
Chemical Name:
4-Amino-2-bromophenol
Synonyms:
Phenol,4-amino-2-bromo-;4-Amino-2-bromophenol;2-Bromo-4-aminophenol
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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4-Amino-2-bromophenol Basic Attributes

Molecular Weight：

188.02

Exact Mass：

188.02

DSSTox ID：

DTXSID30560309

HScode：

2922299090

Characteristics

PSA：

46.2

XLogP3：

1.8

Density：

1.768±0.06 g/cm3(Predicted)

Melting Point：

165 °C @ Solvent: Benzene

Boiling Point：

288.9±25.0 °C(Predicted)

Flash Point：

128.5±23.2 °C

Refractive Index：

1.677

Storage Conditions：

Refrigerated.

Vapor Pressure：

0.001mmHg at 25°C

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

hazard class code：

22-36/38

safety instructions：

Marks：

Xi,Xn

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H302-H315-H319

GHS Classification：

|Warning|H302 (97.56%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, and P501|Aggregated GHS information provided by 41 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Amino-2-bromophenol Use and Manufacturing

Use Classification：

Environmental transformation -> Pesticide transformation products (metabolite, successor)

Agrochemical：

3-bromo-4-hydroxybenzonitrile is a known environmental transformation product of Bromoxynil.

Computed Properties

Molecular Weight:188.02
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Exact Mass:186.96328
Monoisotopic Mass:186.96328
Topological Polar Surface Area:46.2
Heavy Atom Count:9
Complexity:99.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 16750-67-7

Grade: Industrial Grade

Content: 99%

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