p-Toluenesulfonylacetic acid

Modify Date: 2025-08-26 17:34:09

p-Toluenesulfonylacetic acid Structure
p-Toluenesulfonylacetic acid structure
Common Name p-Toluenesulfonylacetic acid
CAS Number 3937-96-0 Molecular Weight 214.23800
Density 1.35 g/cm3 Boiling Point 450.4ºC at 760 mmHg
Molecular Formula C9H10O4S Melting Point 117 °C
MSDS N/A Flash Point N/A

 Names

Name 4-toluenesulfonylacetic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.35 g/cm3
Boiling Point 450.4ºC at 760 mmHg
Melting Point 117 °C
Molecular Formula C9H10O4S
Molecular Weight 214.23800
Exact Mass 214.03000
PSA 79.82000
LogP 1.93410
InChIKey AQDHXMBUTDLAMD-UHFFFAOYSA-N
SMILES Cc1ccc(S(=O)(=O)CC(=O)O)cc1

 Safety Information

Hazard Codes Xi
Risk Phrases R36/37/38
Safety Phrases S26-S36/37/39
HS Code 2916399090

 Synthetic Route

 Customs

HS Code 2916399090
Summary 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 p-Toluenesulfonylacetic acidBioassay

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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
Name: Cell-based high throughput primary assay to identify activators of GPR151
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
Name: AlphaScreen-based biochemical high throughput primary assay to identify activators of...
Source: The Scripps Research Institute Molecular Screening Center
Target: N/A
External Id: FBW7_ACT_ALPHA_1536_1X%ACT PRUN
Name: AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
Source: The Scripps Research Institute Molecular Screening Center
External Id: MITF_INH_Alpha_1536_1X%INH PRUN
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 Synonyms

MFCD00021764
2-(4-methylphenyl)sulfonylacetic acid
EINECS 223-518-0
2-(p-Toluenesulfonyl)acetic Acid
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