3-Biphenylylacetic acid

Modify Date: 2025-08-27 11:05:46

3-Biphenylylacetic acid Structure
3-Biphenylylacetic acid structure
Common Name 3-Biphenylylacetic acid
CAS Number 23948-77-8 Molecular Weight 212.244
Density 1.2±0.1 g/cm3 Boiling Point 384.6±11.0 °C at 760 mmHg
Molecular Formula C14H12O2 Melting Point N/A
MSDS N/A Flash Point 281.5±14.4 °C

 Names

Name 2-(3-phenylphenyl)acetic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 384.6±11.0 °C at 760 mmHg
Molecular Formula C14H12O2
Molecular Weight 212.244
Flash Point 281.5±14.4 °C
Exact Mass 212.083725
PSA 37.30000
LogP 3.26
Vapour Pressure 0.0±0.9 mmHg at 25°C
Index of Refraction 1.596
InChIKey VLQLJPWPRYUYMK-UHFFFAOYSA-N
SMILES O=C(O)Cc1cccc(-c2ccccc2)c1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DU8229000
CHEMICAL NAME :
3-Biphenylacetic acid
CAS REGISTRY NUMBER :
23948-77-8
BEILSTEIN REFERENCE NO. :
2415360
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C14-H12-O2
MOLECULAR WEIGHT :
212.26
WISWESSER LINE NOTATION :
QV1R ER

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
566 mg/kg
TOXIC EFFECTS :
Biochemical - Metabolism (Intermediary) - effect on inflammation or mediation of inflammation
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 24,43,1981

 Safety Information

Hazard Codes Xi
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%

 3-Biphenylylacetic acidBioassay

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Name: AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
Source: The Scripps Research Institute Molecular Screening Center
Target: N/A
External Id: ULK1_INH_LUMI_1536_1X%INH PRUN
Name: uHTS identification of small molecule modulators of Rev-erb Alpha.
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: SBCCG-A1016-RevErbaLBD-Primary-Assay
Name: Inhibitory activity on carrageenan-induced paw edema in rats 3h after po administrati...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL786502
Name: Analgesic activity against AcOH writhing after po administration.
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL783786
Name: Inhibitory activity on carrageenan-induced paw edema in rats 3h after po administrati...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL787889
Name: Acute toxicity was determined 168 hr after a single ip injection to groups of four ma...
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL720719
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 Synonyms

3-Biphenylylacetic acid
3-BIPHENYLACETIC ACID
[1,1'-Biphenyl]-3-acetic acid
1,1'-biphenyl-3-ylacetic acid
Biphenyl-3-ylacetic acid
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