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Key Documents

187062

Sigma-Aldrich

3-Bromobenzyl bromide

99%

Synonym(s):

α,3-Dibromotoluene

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About This Item

Linear Formula:
BrC6H4CH2Br
CAS Number:
Molecular Weight:
249.93
Beilstein:
2078683
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Assay

99%

form

solid

mp

39-41 °C (lit.)

functional group

bromo

SMILES string

BrCc1cccc(Br)c1

InChI

1S/C7H6Br2/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2

InChI key

ZPCJPJQUVRIILS-UHFFFAOYSA-N

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General description

3-Bromobenzyl bromide undergoes reduction with diethylzinc in the presence of Pd(PPh3)4 to yield corresponding hydrocarbon.

Application

3-Bromobenzyl bromide was used in the synthesis of:
  • 1,7-di(3-bromobenzyl)cyclen
  • substituted 8-arylquinoline, phosphodiesterase 4 (PDE4) inhibitors

Pictograms

Corrosion

Signal Word

Danger

Hazard Statements

Hazard Classifications

Skin Corr. 1B

Storage Class Code

8A - Combustible corrosive hazardous materials

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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