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Merck
CN

558753

1,4-Diacetoxy-2-bromobenzene

97%

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About This Item

Linear Formula:
(H3CCO2)2C6H3Br
CAS Number:
Molecular Weight:
273.08
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
97%
Form:
solid
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InChI

1S/C10H9BrO4/c1-6(12)14-8-3-4-10(9(11)5-8)15-7(2)13/h3-5H,1-2H3

SMILES string

CC(=O)Oc1ccc(OC(C)=O)c(Br)c1

InChI key

XRIFNWOHWJOCQG-UHFFFAOYSA-N

assay

97%

form

solid

mp

70-75 °C (lit.)

functional group

bromo, ester

Quality Level

General description

1,4-Diacetoxy-2-bromobenzene can be prepared by reacting 1,4-benzoquinone with zinc bromide in the presence of acetic anhydride.

Application

1,4-Diacetoxy-2-bromobenzene may be used to synthesize bromohydroquinone and (Sp,S)-1-(2,5-diacetoxyphenyl)-2-(p-tolylsulfinyl)ferrocene.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

Regulatory Information

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Design, Synthesis, and Evaluation of Synthetic Mimics of Cell Surface Receptors, 212-212 (2007)
Total synthesis of siccayne.
Pinault M, et al.
Synthesis, 10, 935-937 (1990)
Highly Selective Negishi Cross-Coupling Reaction of a Zinc-Metallated Ferrocenyl p-Tolyl Sulfoxide: New Chiral Ferrocene-Based Quinone Ligands.
Cotton HK, et al.
European Journal of Organic Chemistry, 15, 2756-2763 (2003)

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