4'-Methyl[1,1'-biphenyl]-2-carbonsure

2-(4-Methylphenyl)benzoic acid

HCID 81568CAS 7148-03-0

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: Cc1ccc(-c2ccccc2C(=O)O)cc1
InChIKey: ZSTUEICKYWFYIC-UHFFFAOYSA-N
Summenformel: C14H12O2
Durchschnittliche Molmasse: 212,24 g/mol
Monoisotopische Masse: 212,08372962

Namen und Bezeichner

Bevorzugter Name: 2-(4-Methylphenyl)benzoic acid
IUPAC: 2-(4-methylphenyl)benzoic acid
Lokaler Name: 4'-Methyl[1,1'-biphenyl]-2-carbonsure
Englischer Name: 4'-Methylbiphenyl-2-carboxylic acid
Summenformel: C14H12O2
Molmasse: 212.24

Namen und Synonyme

7148-03-02-(4-Methylphenyl)benzoic acid2-(p-Tolyl)benzoic Acid4'-Methyl-2-biphenylcarboxylic acid[1,1'-Biphenyl]-2-carboxylic acid, 4'-methyl-2-Biphenylcarboxylic acid, 4'-methyl-9XZ5ON5Y1PBenzoic acid, 2-(4-methylphenyl)-4'-methyl[1,1'-biphenyl]-2-carboxylic acidBiphenyl-2-carboxylic acid, 4'-methyl-EINECS 230-462-0NSC 26069

Weitere Namen anzeigen

AKOS BAR-0260RARECHEM AL BO 0764o-Tolylbenzoic acid4′-Methyl-2-biphenylTelmisartan Impurity 324'-Methyl-2-carboxybiphenyl2-(4-mehtylphenyl)benzoic acid

NSC-26069(1,1'-Biphenyl)-2-carboxylic acid, 4'-methyl-DTXSID20645734'-Methyl(1,1'-biphenyl)-2-carboxylic acid4-methyl-2'-biphenylcarboxylic acid2-CARBOXY-4'-METHYLBIPHENYL4'-METHYL-2-BIPHENYLYLCARBOXYLIC ACIDRefChem:458130

Datenbank-Bezeichner

CAS: 7148-03-0
PubChem CID: 81568
DTXSID: DTXSID2064573
UNII: 9XZ5ON5Y1P
EC Number: 230-462-0
Nikkaji: J227.398E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,3
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 16
Formalladung: 0
Komplexität: 241

Physikochemische Eigenschaften

Schmelzpunkt: 146 · 146-148°C
Siedepunkt: 354.5 · 354.5±11.0 °C(Predicted)
Dichte: 1.156 · 1.156±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: DMSO, Methanol
Aggregatzustand: Solid
pka: 3.9 · 3.90±0.36(Predicted)
Farbe: White
InChI: InChI=1S/C14H12O2/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14(15)16/h2-9H,1H3,(H,15,16)
InChIKey: ZSTUEICKYWFYIC-UHFFFAOYSA-N
SMILES: C1(C2=CC=C(C)C=C2)=CC=CC=C1C(O)=O
CAS Datenbank: 7148 · 7148-03-0(CAS DataBase Reference)
EPA chemische Informationen: 1 · [1,1'-Biphenyl]-2-carboxylic acid, 4'-methyl- (7148-03-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationChemical: [1,1'-Biphenyl]-2-carboxylic acid, 4'-methyl-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29163990
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information[1,1'-Biphenyl]-2-carboxylic acid, 4'-methyl-: INACTIVE

Anwendungen

Verwenden4’-Methylbiphenyl-2-carboxylic Acid is used in the synthesis of angiotensin II receptor antagonists used as potent orally active antihypertensives.