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310417

Sigma-Aldrich

4-(Bromomethyl)phenylacetic acid

95%

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About This Item

Linear Formula:
BrCH2C6H4CH2CO2H
CAS Number:
13737-36-5
Molecular Weight:
229.07
Beilstein:
2360711
MDL number:
MFCD00010632
UNSPSC Code:
12352100
PubChem Substance ID:
24858792
NACRES:
NA.22

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

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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

Health hazardExclamation mark
GHS08,GHS07

Signal Word

Danger

Hazard Statements

H315,H319,H334,H335

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

310417-VAR:
310417-BULK:
310417-1G:
310417-5G:

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Certificates of Analysis (COA)

Lot/Batch Number
MKCJ4133
00519JJV
BCBC1458V
BCBC1458
BCBB7406

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

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