2-(4-Methylbenzoyl)benzoic acid

Modify Date: 2025-08-23 16:11:52

2-(4-Methylbenzoyl)benzoic acid Structure
2-(4-Methylbenzoyl)benzoic acid structure
Common Name 2-(4-Methylbenzoyl)benzoic acid
CAS Number 85-55-2 Molecular Weight 240.254
Density 1.2±0.1 g/cm3 Boiling Point 457.1±28.0 °C at 760 mmHg
Molecular Formula C15H12O3 Melting Point 137-139 °C(lit.)
MSDS N/A Flash Point 244.4±20.5 °C

 Names

Name 2-(p-Toluoyl)benzoic Acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 457.1±28.0 °C at 760 mmHg
Melting Point 137-139 °C(lit.)
Molecular Formula C15H12O3
Molecular Weight 240.254
Flash Point 244.4±20.5 °C
Exact Mass 240.078644
PSA 54.37000
LogP 2.77
Vapour Pressure 0.0±1.2 mmHg at 25°C
Index of Refraction 1.607
InChIKey ICQOWIXIHDDXDI-UHFFFAOYSA-N
SMILES Cc1ccc(C(=O)c2ccccc2C(=O)O)cc1

 Safety Information

Hazard Codes Xi: Irritant;
Risk Phrases R36/37/38
Safety Phrases S26-S37/39
WGK Germany 3
HS Code 2918300090

 Synthetic Route

 Customs

HS Code 2918300090
Summary 2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

 2-(4-Methylbenzoyl)benzoic acidBioassay

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Name: Dissociation constant for HCV NS3 protease substrate binding site
Source: ChEMBL
Target: Genome polyprotein
External Id: CHEMBL751815
Name: Dicer-mediated maturation of pre-microRNA
Source: Center for Chemical Genomics, University of Michigan
Target: N/A
External Id: TargetID_659_CEMA
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: Inhibition of recombinant human AKR1C3
Source: ChEMBL
Target: Aldo-keto reductase family 1 member C3
External Id: CHEMBL869399
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

EINECS 201-614-3
MFCD00020287
2-(4-Methylbenzoyl)benzoic acid
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