2-[(4-chlorophenyl)methyl]benzoic acid

Modify Date: 2026-01-04 15:47:25

2-[(4-chlorophenyl)methyl]benzoic acid Structure
2-[(4-chlorophenyl)methyl]benzoic acid structure
Common Name 2-[(4-chlorophenyl)methyl]benzoic acid
CAS Number 4889-70-7 Molecular Weight 246.68900
Density 1.276g/cm3 Boiling Point 391.4ºC at 760 mmHg
Molecular Formula C14H11ClO2 Melting Point N/A
MSDS N/A Flash Point 190.5ºC

 Names

Name 2-[(4-chlorophenyl)methyl]benzoic acid

 Chemical & Physical Properties

Density 1.276g/cm3
Boiling Point 391.4ºC at 760 mmHg
Molecular Formula C14H11ClO2
Molecular Weight 246.68900
Flash Point 190.5ºC
Exact Mass 246.04500
PSA 37.30000
LogP 3.62900
Index of Refraction 1.614
InChIKey GSOKCVIYGKIMJK-UHFFFAOYSA-N
SMILES O=C(O)c1ccccc1Cc1ccc(Cl)cc1

 Safety Information

HS Code 2916399090

 Synthetic Route

~88%

2-[(4-chlorophenyl)methyl]benzoic acid Structure

2-[(4-chlorophe...

CAS#:4889-70-7

Literature: Bayer, Ernst; Hayat, Safdar; Atta-Ur-Rahman; Choudhary, M. Iqbal; Khan, Khalid Mohammed; Shah, Syed Tasadaque Ali; Imran-Ul-Haq; Anwar, M. Usman; Voelter, Wolfgang Arzneimittel-Forschung/Drug Research, 2005 , vol. 55, # 10 p. 588 - 597

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2-[(4-chlorophenyl)methyl]benzoic acid Structure

2-[(4-chlorophe...

CAS#:4889-70-7

Literature: Am. Cyanamid and Chem. Corp. Patent: US1981360 , 1931 ;

 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%

 2-[(4-chlorophenyl)methyl]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: 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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