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348155

Methyl 4-(bromomethyl)benzoate

98%

Synonym(s):

α-Bromo-p-toluic acid methyl ester, 4-(Bromomethyl)benzoic acid methyl ester, 4-(Carbomethoxy)benzyl bromide, 4-(Methoxycarbonyl)benzyl bromide, Methyl α-bromo-p-toluate, Methyl p-(bromomethyl)benzoate, p-(Bromomethyl)benzoic acid methyl ester, p-(Carbomethoxy)benzyl bromide, p-(Methoxycarbonyl)benzyl bromide

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About This Item

Linear Formula:
BrCH2C6H4CO2CH3
CAS Number:
2417-72-3
Molecular Weight:
229.07
NACRES:
NA.22
PubChem Substance ID:
24861555
UNSPSC Code:
12352100
MDL number:
MFCD00032453
Assay:
98%
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Quality Segment

100

assay

98%

bp

130-135 °C/2 mmHg (lit.)

mp

57-58 °C (lit.)

functional group

bromo, ester

SMILES string

COC(=O)c1ccc(CBr)cc1

InChI

1S/C9H9BrO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,6H2,1H3

InChI key

NLWBJPPMPLPZIE-UHFFFAOYSA-N

General description

Methyl 4-(bromomethyl)benzoate is an ester. It is a lachrymator and an important drug intermediate. Ester group is slightly twisted out of the plane of the central aromatic ring in methyl 4-(bromomethyl)benzoate.

Application

Methyl 4-(bromomethyl)benzoate may be used in the synthesis of 9-O-(4-carboxybenzyl)berberine (CBB).

signalword

Danger

Hazard Classifications

Acute Tox. 3 Oral - Resp. Sens. 1 - Skin Corr. 1B

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges

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