α-Phenyl[1,1'-biphenyl]-4-methanol

alpha-Phenyl[1,1'-biphenyl]-4-methanol

HCID 95512CAS 7598-80-3

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Grundinformationen

Standard-SMILES: OC(c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIKey: WMFZVLIHQVUVGO-UHFFFAOYSA-N
Summenformel: C19H16O
Durchschnittliche Molmasse: 260,3 g/mol
Monoisotopische Masse: 260,12011513

Namen und Bezeichner

Bevorzugter Name: alpha-Phenyl[1,1'-biphenyl]-4-methanol
IUPAC: phenyl-(4-phenylphenyl)methanol
Lokaler Name: α-Phenyl[1,1'-biphenyl]-4-methanol
Englischer Name: alpha-phenyl[1,1'-biphenyl]-4-methanol
Summenformel: C19H16O
Molmasse: 260.32974

Namen und Synonyme

7598-80-3alpha-phenyl[1,1'-biphenyl]-4-methanolEINECS 231-506-1alpha-Phenyl(1,1'-biphenyl)-4-methanolNSC 16333RefChem:111371231-506-1[1,1'-Biphenyl]-4-yl(phenyl)methanolphenyl-(4-phenylphenyl)methanolBifonazole EP Impurity A4-Phenylbenzhydrol4-Biphenylylphenylcarbinol

Weitere Namen anzeigen

Bibenzazole EP Impurity Aα-Phenylbiphenyl-4-methanolBiphenyl-4-Yl-Phenyl-Methanolα-(4-Biphenylyl)benzyl alcoholA-PHENYL-1,1BIPHENYL-4-METHANOL1-cyclopentyl-3-methyl-1-butanone

(RS)-(Biphenyl-4-yl)phenylmethanolMFCD00183351NSC-16333p-Phenylbenzhydrol[1,?1'-?Biphenyl]?-?4-?yl(phenyl)?methanolPhenyl(biphenyl-4-yl)methanolalpha-Phenylbiphenyl-4-methanolalpha-(4-Biphenylyl)benzyl alcohol

Datenbank-Bezeichner

CAS: 7598-80-3
PubChem CID: 95512
DTXSID: DTXSID001032775
UNII: D37SST389K
EC Number: 231-506-1
Nikkaji: J307.893K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,3
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 3
Schwere Atome: 20
Formalladung: 0
Komplexität: 267

Physikochemische Eigenschaften

Schmelzpunkt: 95 · 95-96 °C
Siedepunkt: 258 · 258-260 °C(Press: 17 Torr)
Dichte: 1.12 · 1.120±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Löslichkeit: Chloroform (Slightly), Methanol (Slightly), Toluene (Slightly)
pka: 13.45 · 13.45±0.20(Predicted)
Aggregatzustand: Solid
Farbe: White to Off-White
InChI: InChI=1S/C19H16O/c20-19(17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14,19-20H
InChIKey: WMFZVLIHQVUVGO-UHFFFAOYSA-N
SMILES: C1(C=CC(C(O)C2C=CC=CC=2)=CC=1)C1C=CC=CC=1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H400 (98.4%): 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 64 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.