4'-Methyl-biphenyl-3-carboxylic acid

HCID 2773978

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Grundinformationen

CAS: 147404-69-1
Standard-SMILES: Cc1ccc(-c2cccc(C(=O)O)c2)cc1
InChIKey: APYJGQZXCGXMGB-UHFFFAOYSA-N
Summenformel: C14H12O2
Durchschnittliche Molmasse: 212,24 g/mol
Monoisotopische Masse: 212,08372962

Namen und Bezeichner

Bevorzugter Name: 4'-Methyl-biphenyl-3-carboxylic acid
IUPAC: 3-(4-methylphenyl)benzoic acid
Englischer Name: 4'-Methylbiphenyl-3-carboxylic acid
Summenformel: C14H12O2
Molmasse: 212.24

Namen und Synonyme

4'-Methyl-biphenyl-3-carboxylic acidRefChem:506202672-103-4147404-69-14'-Methylbiphenyl-3-carboxylic acid4'-Methyl-[1,1'-biphenyl]-3-carboxylic acid3-(4-methylphenyl)benzoic AcidMFCD00452725[1,1'-Biphenyl]-3-carboxylic acid, 4'-methyl-4/'-METHYLBIPHENYL-3-CARBOXYLIC ACID4'-methyl-3-biphenylcarboxylic acid3-(p-Tolyl)benzoic acid

Weitere Namen anzeigen

AKOS BAR-0001CHEMBRDG-BB 4400410RARECHEM AL BE 13483-(4-Tolyl)benzoic acid3-(4-methylphenyl)benzoate4'-Methyl-3-biphenylboronic Acid

SCHEMBL121436CHEMBL2089278DTXSID40378811APYJGQZXCGXMGB-UHFFFAOYSA-NSBB053448AKOS002679748AS-2068SY346104

Datenbank-Bezeichner

CAS: 147404-69-1
PubChem CID: 2773978
DTXSID: DTXSID40378811
ChEMBL: CHEMBL2089278
EC Number: 672-103-4
Nikkaji: J3.331.826J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4
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

Siedepunkt: 399.4 · 399.4±21.0 °C(Predicted)
Dichte: 1.156 · 1.156±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 4.14 · 4.14±0.10(Predicted)
CAS Datenbank: 147404 · 147404-69-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (90.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.