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1,2-Bis(bromomethyl)benzene

1,2-Bis(bromomethyl)benzene structure

CAS No:
91-13-4
Formula:
C8H8Br2
Chemical Name:
1,2-Bis(bromomethyl)benzene
Synonyms:
Benzene,1,2-bis(bromomethyl)-;o-Xylene,α,α′-dibromo-;1,2-Bis(bromomethyl)benzene;α,α′-Dibromo-o-xylene;o-Xylylene dibromide;α,α′-Dibromo-o-xylol;o-Bis(bromomethyl)benzene;1,2-Di(bromomethyl)benzene;o-(Bromomethyl)benzyl bromide;o-Di(bromomethyl)benzene;2-(Bromomethyl)benzyl bromide;α,α′-Dibromo-1,2-xylene;NSC 3986;o-α,α′-Dibromoxylene
Categories:
Biochemical Engineering > Amino Acids and Derivatives

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Description

white to light yellow crystal powde

1,2-Bis(bromomethyl)benzene Basic Attributes

Molecular Weight：

263.96

Exact Mass：

263.96

BRN：

637159

EC Number：

202-042-7

UNII：

9FRJ55E5UL

NSC Number：

3986

DSSTox ID：

DTXSID2059019

HScode：

29036990

Characteristics

PSA：

XLogP3：

Appearance：

White to light cream Crystals or Crystalline Powder

Density：

1.8±0.1 g/cm3

Melting Point：

95 °C

Boiling Point：

140 °C @ Press: 20 Torr

Flash Point：

133.6±21.0 °C

Refractive Index：

1.611

Water Solubility：

H2O: soluble , hydrolyses

Storage Conditions：

Store below +30°C.

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 3448 6.1/PG 2

wgk germany：

hazard class code：

22-34

safety instructions：

26-36/37/39-45

Marks：

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P280-P305 + P351 + P338-P310

Hazard Statements：

H302-H314

GHS Classification：

|Danger|H302 (89.36%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501|Aggregated GHS information provided by 47 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

alpha,alpha'-dibromoxylene

1,2-Bis(bromomethyl)benzene Use and Manufacturing

Methods of Manufacturing

General procedure: To a mixture of NXS and substrate (1 or 6) in CHA mixture of compound 1 (40 g, 0.38 mol), NBS (140.8 g, 0.79 mol), benzoyl peroxide (0.91 g, 3.8 mmol) in CHClSynthesis of the brominated compound was achieved in accordance with the literature. 20 For this purpose, o-xylene (5.80 g, 54.0 mmol) and N-bromosuccinimide(NBS) (20.00 g, 112.3 mmol) were dissolved in 25 ml of carbontetrachloride. A half amount of benzoyl peroxide (0.01 g, 0.04 mmol)was added and heterogeneous reaction mixture started to reflux. After 20 minutes, the other half of benzoyl peroxide (0.01 g, 0.04 mmol)was added and the mixture was refluxed for an additional 6 hoursand cooled down to room temperature. In the following step, succinimide solids precipitated during the reaction was separated fromthe solution under suction and the excess of carbon tetrachloride wasremoved by vacuum distillation. The crude mixture was chilled inthe refrigerator overnight, and the precipitated product was separatedby filtration. A white solid was obtained after recrystallization ofthe crude product from diethyl ether to yield 9.26 g (65percent) of 1, 2-bis(bromomethyl)benzene (observed m.p: 97C, lit m.p: 99C). MS(EI) m/z (percent) calcd. for C8H8Br2: 264.0; found: 264.0 (M+, 11), 183.1(97), 104.2 (100), 78.2 (19).IR (ATR), νmax/cm−1: 3052–3021 (w, aromatic, C-H stretching), 2965 (w, aliphatic C-H stretching), 1489 (m, aliphatic C-H bending), 768 (s, aromatic C-H bending). Elemental analysis: anal. calcd. forC8H8Br2 (264.0): C 36.40 H 3.05 Br 60.54; found: C 35.20 H 2.41.General procedure: NBS (534 mg, 3 mmol) was dissolved in CH

Manufacturing Info：

Benzene, 1,2-bis(bromomethyl)-: ACTIVE

Computed Properties

Molecular Weight:263.96
XLogP3:3
Rotatable Bond Count:2
Exact Mass:263.89723
Monoisotopic Mass:261.89928
Heavy Atom Count:10
Complexity:81.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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1,2-Bis(bromomethyl)benzene

CAS No.: 91-13-4

Content: 99.00%

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Guide of 1,2-Bis(bromomethyl)benzene

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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1,2-Bis(bromomethyl)benzene

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