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2-Bromo-1,4-benzenediol

2-Bromo-1,4-benzenediol structure

CAS No:
583-69-7
Formula:
C6H5BrO2
Chemical Name:
2-Bromo-1,4-benzenediol
Synonyms:
1,4-Benzenediol,2-bromo-;Hydroquinone,bromo-;2-Bromo-1,4-benzenediol;Bromohydroquinone;2-Bromoquinol;2-Bromohydroquinone;2-Bromo-1,4-hydroquinone;2-Bromo-1,4-dihydroxybenzene;1-Bromo-2,5-dihydroxybenzene;NSC 3977
Categories:
Chemical Reagents > Organic Reagents

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Description

beige to brown fine crystalline powder

2-Bromo-1,4-benzenediol Basic Attributes

Molecular Weight：

189.008

Exact Mass：

189.01

EC Number：

209-516-2

UNII：

B33BAR0J2E

NSC Number：

3977

DSSTox ID：

DTXSID6060397

HScode：

2908199090

Characteristics

PSA：

40.5

XLogP3：

2.01

Appearance：

brown solid.

Density：

1.8±0.1 g/cm3

Melting Point：

111.5 °C

Boiling Point：

278.3±20.0 °C at 760 mmHg

Flash Point：

122.1±21.8 °C

Refractive Index：

1.657

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36

RTECS Number：

CZ8920000

Marks：

Xi: Irritant;

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2-bromohydroquinone

2-Bromo-1,4-benzenediol Use and Manufacturing

Manufacturing Info：

1,4-Benzenediol, 2-bromo-: ACTIVE

Computed Properties

Molecular Weight:189.01
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Exact Mass:187.94729
Monoisotopic Mass:187.94729
Topological Polar Surface Area:40.5
Heavy Atom Count:9
Complexity:97.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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