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2,5-DIBROMOHYDROQUINONE

2,5-DIBROMOHYDROQUINONE structure

CAS No:
14753-51-6
Formula:
C6H4Br2O2
Chemical Name:
2,5-DIBROMOHYDROQUINONE
Synonyms:
2,5-DIBROMOHYDROQUINONE;2,5-Dibromo-1,4-benzenediol;2,5-Dibromobenzene-1,4-diol;2,5-Dibromohydroquine;2,5-Dibromoquinol;2,5-DibroMohydroquinone 97%;1,4-Benzenediol,2,5-dibromo-
Categories:
Specialty Chemicals

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Description

Class white to Gray Crystal

2,5-DIBROMOHYDROQUINONE Basic Attributes

Molecular Weight：

267.9

Exact Mass：

265.85800

NSC Number：

133363

DSSTox ID：

DTXSID90299865

HScode：

29081990

Characteristics

PSA：

40.5

XLogP3：

2.6

Density：

2.257±0.06 g/cm3(Predicted)

Melting Point：

191-194 °C

Boiling Point：

283.4±35.0 °C(Predicted)

Flash Point：

125.2ºC

Refractive Index：

1.69

Water Solubility：

Soluble in methanol

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

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 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2,5-DIBROMOHYDROQUINONE Use and Manufacturing

To a 1 L three neck flask, equipped with a nitrogen gas inlet and a gas outlet attached to a bubbler containing an aqueous sodium hydroxide solution (7.26 g NaOH in 300 mL water) and a dropping funnel, was placed hydroquinone (20 g, 182 mmol) in 200 mL of glacial acetic acid. A solution of 32.0 g (0.2 mol) BrHydroquinone (10 g, 90.8 mmol) was dissolved in acetic acid (80 mL) in a 500 mL three-necked round-bottomed flask. A solutionof BrIn a 100 ml single-necked flask, 7.1 g (24.2 mmol, 1.0 eq) of 1, 4-dibromo-2, 5-dimethoxybenzene and 30 ml of dichloromethane were added. After the addition of the addition of BBr3 4.6ml (49.6mmol, 2.05eq), reflux reaction 24h. The methylene chloride was distilled off, and 50 ml of water was added with stirring. The filter cake was washed with water and washed with water. And dried in vacuo to give 5.08 g of a white solid in 79percent yield.

Computed Properties

Molecular Weight:267.90
XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Exact Mass:267.85576
Monoisotopic Mass:265.85780
Topological Polar Surface Area:40.5
Heavy Atom Count:10
Complexity:106
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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