M0395
3-Methylsalicylic acid
≥96% (capillary GC)
Synonym(s):
2-Hydroxy-3-methylbenzoic acid, o-Cresotic acid
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About This Item
Linear Formula:
CH3C6H3(OH)CO2H
CAS Number:
Molecular Weight:
152.15
EC Number:
201-473-8
UNSPSC Code:
12171500
MDL number:
Beilstein/REAXYS Number:
2086811
assay
≥96% (capillary GC)
mp
163-165 °C (lit.)
SMILES string
Cc1cccc(C(O)=O)c1O
InChI
1S/C8H8O3/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4,9H,1H3,(H,10,11)
InChI key
WHSXTWFYRGOBGO-UHFFFAOYSA-N
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Eye Dam. 1 - Skin Irrit. 2 - STOT SE 3
Storage Class
13 - Non Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
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Esra Bayram et al.
Bioorganic & medicinal chemistry, 16(20), 9101-9105 (2008-09-30)
The inhibition of two human cytosolic carbonic anhydrase (hCA, EC 4.2.1.1) isozymes, hCA I and II, with a series of salicylic acid derivatives was investigated by using the esterase method with 4-nitrophenyl acetate as substrate. IC(50) values for sulfasalazine, diflunisal
Jennifer A Jacobsen et al.
Journal of medicinal chemistry, 54(2), 591-602 (2010-12-30)
Fragment-based lead design (FBLD) has been used to identify new metal-binding groups for metalloenzyme inhibitors. When screened at 1 mM, a chelator fragment library (CFL-1.1) of 96 compounds produced hit rates ranging from 29% to 43% for five matrix metalloproteases
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