Key Documents

Methyl 4-(bromomethyl)benzoate

Name: Methyl 4-(bromomethyl)benzoate
Brand: ALDRICH

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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Properties

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

Description

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).

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This Item	529990	144061	72505
Sigma-Aldrich 348155 Methyl 4-(bromomethyl)benzoate	Sigma-Aldrich 529990 4-Bromomethyl benzoyl bromide	Sigma-Aldrich 144061 4-(Bromomethyl)benzonitrile	Supelco 72505 Ethyl benzoate
description 98%	description 96%	description 99%	description analytical standard
assay 98%	assay 96%	assay 99%	assay ≥99.0% (GC)
Quality Level 100	Quality Level 100	Quality Level 200	Quality Level 100
mp 57-58 °C (lit.)	mp 57-61 °C (lit.)	mp 115-117 °C (lit.)	mp −34 °C (lit.)
bp 130-135 °C/2 mmHg (lit.)	bp 100-112 °C/0.5 mmHg (lit.)	bp -	bp 212 °C (lit.)
functional group bromo, ester	functional group acyl bromide, bromo	functional group nitrile, bromo	functional group -

pictograms

GHS06,GHS08,GHS05

signalword

Danger

hcodes

H301,H314,H334

pcodes

P260 - P280 - P284 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338

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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