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310417

4-(Bromomethyl)phenylacetic acid

Name: 4-(Bromomethyl)phenylacetic acid
Brand: ALDRICH

95%

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About This Item

Linear Formula:

BrCH₂C₆H₄CH₂CO₂H

CAS Number:

13737-36-5

Molecular Weight:

229.07

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24858792

MDL number:

MFCD00010632

Beilstein/REAXYS Number:

2360711

Assay:

95%

Form:

solid

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Properties

assay

95%

form

solid

mp

179-183 °C (lit.)

SMILES string

OC(=O)Cc1ccc(CBr)cc1

InChI

1S/C9H9BrO2/c10-6-8-3-1-7(2-4-8)5-9(11)12/h1-4H,5-6H2,(H,11,12)

InChI key

WCOCCXZFEJGHTC-UHFFFAOYSA-N

Description

Application

4-(Bromomethyl)phenylacetic acid was used as the precursor for serine protease inhibitor. It was also used in the synthesis of a novel crown ether receptor and 4-(acetoxymethyl)phenylacetic acid by reacting with excessive sodium acetate and acetic acid.

pictograms

GHS08,GHS07

signalword

Danger

hcodes

H315,H319,H334,H335

pcodes

P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338

Hazard Classifications

Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Regulatory Information

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Synthesis and anti-inflammatory activity of the major metabolites of imrecoxib.

Zhiqiang Feng et al.

Bioorganic & medicinal chemistry letters, 19(8), 2270-2272 (2009-03-17)

We have developed a novel and moderately selective COX-2 inhibitor, imrecoxib, as a new anti-inflammatory drug. We describe herein the preparation of the major metabolites M2 and M4 of imrecoxib, as well as the in vitro and in vivo activities

Effect of conformational mobility and hydrogen-bonding interactions on the selectivity of some guanidinoaryl-substituted mechanism-based inhibitors of trypsin-like serine proteases.

R Rai et al.

Journal of medicinal chemistry, 35(23), 4297-4305 (1992-11-13)

Previously, we have reported that some guanidino-substituted alpha- and beta-aryl enol lactones I and II behaved as selective, mechanism-based inhibitors of some trypsin-like proteases (Rai, R.; Katzenellenbogen, J.A. J. Med. Chem., submitted). In this study, we describe the synthesis and

Journal of the Chemical Society. Chemical Communications, 399-399 (1993)

Global Trade Item Number

SKU	GTIN
310417-5G	04061831829372
310417-1G	04061825584485