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518409

Sigma-Aldrich

3-Chloro-2-methylbenzoic acid

98%

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About This Item

Linear Formula:
ClC6H3(CH3)CO2H
CAS Number:
Molecular Weight:
170.59
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Assay

98%

mp

163-166 °C (lit.)

SMILES string

Cc1c(Cl)cccc1C(O)=O

InChI

1S/C8H7ClO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4H,1H3,(H,10,11)

InChI key

HXGHMCLCSPQMOR-UHFFFAOYSA-N

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Eye Irrit. 2 - 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

518409-BULK:
518409-5G:
518409-VAR:


Certificates of Analysis (COA)

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Monomers and Polymers. III. A New Synthesis for α-Methylstyrenes1, 2.
Bachman GB and Hellman HM.
Journal of the American Chemical Society, 70(5), 1772-1774 (1948)
F K Higson et al.
Applied and environmental microbiology, 58(8), 2501-2504 (1992-08-01)
Pseudomonas cepacia MB2 grew on 3-chloro-2-methylbenzoate as a sole carbon source by metabolism through the meta fission pathway with the subsequent liberation of chloride. meta pyrocatechase activity in cell extracts was induced strongly by 3-chloro-2-methylbenzoate, but not by nongrowth analogs
Guangxin Xia et al.
European journal of medicinal chemistry, 62, 1-10 (2013-01-29)
The potential roles of 11β-HSD1 inhibitors in metabolic syndrome, T2D and obesity were well established and currently several classes of 11β-HSD1 inhibitors have been developed as promising agents against metabolic diseases. To find potent compounds with good pharmacokinetics, we used

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