Methyl 4'-hydroxy(1,1'-biphenyl)-4-carboxylate

HCID 1490289CAS 40501-41-5

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Grundinformationen

Standard-SMILES: COC(=O)c1ccc(-c2ccc(O)cc2)cc1
InChIKey: PHBQSOODLMGROT-UHFFFAOYSA-N
Summenformel: C14H12O3
Durchschnittliche Molmasse: 228,24 g/mol
Monoisotopische Masse: 228,07864424

Namen und Bezeichner

Bevorzugter Name: Methyl 4'-hydroxy(1,1'-biphenyl)-4-carboxylate
IUPAC: methyl 4-(4-hydroxyphenyl)benzoate
Englischer Name: Methyl 4'-hydroxy[1,1'-biphenyl]-4-carboxylate
Summenformel: C14H12O3
Molmasse: 228.24

Namen und Synonyme

Methyl 4'-hydroxy[1,1'-biphenyl]-4-carboxylateMETHYL 4'-HYDROXY(1,1'-BIPHENYL)-4-CARBOXYLATERefChem:815654655-166-240501-41-5Methyl 4'-hydroxy-[1,1'-biphenyl]-4-carboxylatemethyl 4-(4-hydroxyphenyl)benzoate4-(4-Methoxycarbonylphenyl)phenolmethyl 4'-hydroxy-4-biphenylcarboxylateMFCD01814566methyl 4'-hydroxybiphenyl-4-carboxylateOprea1_601360

Weitere Namen anzeigen

AKOS BAR-1039SALOR-INT L480711-1EAMethyl 4’-Hydroxybiphenyl-4-carboxylate4'-Hydroxy-4-biphenylcarboxylic acid methyl ester1,1'-Biphenyl]-4-carboxylic acid, 4'-hydroxy-, methyl ester

CHEMBL91056SCHEMBL4668655DTXSID90363419PHBQSOODLMGROT-UHFFFAOYSA-NQBA50141methyl 4-(4'-hydroxyphenyl)benzoateAKOS004116310METHYL 4'-HYDROXY(1,1'-BIPH

Datenbank-Bezeichner

CAS: 40501-41-5
PubChem CID: 1490289
DTXSID: DTXSID90363419
ChEMBL: CHEMBL91056
EC Number: 655-166-2
Nikkaji: J1.722.122A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,6
Polarare Oberfläche (TPSA): 46,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 17
Formalladung: 0
Komplexität: 248

Physikochemische Eigenschaften

Schmelzpunkt: 227 · 227-228 °C(Solv: acetone (67-64-1))
Siedepunkt: 380.2 · 380.2±25.0 °C(Predicted)
Dichte: 1.194 · 1.194±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
pka: 9.55 · 9.55±0.26(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesAquatic Acute 1 (100%)

Sicherheitsdaten

hs_code: 2918290090

Chemie und Industrie

Anwendungen

VerwendenMethyl 4'-hydroxy[1,1'-biphenyl]-4-carboxylate is primarily used as a key intermediate in the synthesis of more complex molecules, particularly in the pharmaceutical and materials science fields.