2,2-Bis(p-chlorphenyl)ethanol

4-Chloro-beta-(4-chlorophenyl)benzeneethanol

HCID 17533CAS 2642-82-2

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIKey: ZVIDYKRNLNAXFT-UHFFFAOYSA-N
Summenformel: C14H12Cl2O
Durchschnittliche Molmasse: 267,1 g/mol
Monoisotopische Masse: 266,02652036

Überblick

2,2-bis(4-chlorophenyl)ethanol is a organochlorine compound that is 4,4'-dichlorodiphenylmethane in which one of the methylene hydrogens is replaced by a hydroxymethyl group. It has a role as a xenobiotic metabolite. It is a primary alcohol and a member of monochlorobenzenes. It is functionally related to a 4,4'-dichlorodiphenylmethane.

Namen und Bezeichner

Bevorzugter Name: 4-Chloro-beta-(4-chlorophenyl)benzeneethanol
IUPAC: 2,2-bis(4-chlorophenyl)ethanol
Lokaler Name: 2,2-Bis(p-chlorphenyl)ethanol
Englischer Name: DDOH
Summenformel: C14H12Cl2O
Molmasse: 267.15

Namen und Synonyme

2,2-Bis(4-chlorophenyl)ethanolDDOH2642-82-2p,p'-Ddoh2,2-Bis(4-chlorophenyl)-1-hydroxyethaneEthanol, 2,2-bis(p-chlorophenyl)-DTXSID50413084-Chloro-beta-(4-chlorophenyl)benzeneethanolNSC-8942Benzeneethanol, 4-chloro-beta-(4-chlorophenyl)-59856K2U1EDTXCID3021308

Weitere Namen anzeigen

p'-DdohC12070000 4,4`-DDOH2,2-Bis4-chlorophenylCetirizine Impurity 864,4′-DDOH, CAS 2642-82-2

CHEBI:28410RefChem:440835220-148-12,2-BIS(P-CHLOROPHENYL)ETHANOLDDOM4,4'-DDOH2,2-Bis(4'-chlorophenyl)ethanolBenzeneethanol, 4-chloro-.beta.-(4-chlorophenyl)-

Datenbank-Bezeichner

CAS: 2642-82-2
PubChem CID: 17533
DTXSID: DTXSID5041308
ChEMBL: CHEMBL3182945
ChEBI: CHEBI:28410
UNII: 59856K2U1E
EC Number: 220-148-1
Nikkaji: J2.162H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,4
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 3
Schwere Atome: 17
Formalladung: 0
Komplexität: 196

Physikochemische Eigenschaften

Schmelzpunkt: 100 · 100-102 °C(lit.)
Siedepunkt: 387.7 · 387.7±32.0 °C(Predicted)
Dichte: 1.287 · 1.287±0.06 g/cm3(Predicted)
pka: 14.42 · 14.42±0.10(Predicted)
Aggregatzustand: solid
BRN: 2055080 · 2055080
InChI: 1S/C14H12Cl2O/c15-12-5-1-10(2-6-12)14(9-17)11-3-7-13(16)8-4-11/h1-8,14,17H,9H2
InChIKey: ZVIDYKRNLNAXFT-UHFFFAOYSA-N
SMILES: OCC(c1ccc(Cl)cc1)c2ccc(Cl)cc2
EPA chemische Informationen: 2 · 2,2-Bis(p-chlorophenyl)ethanol (2642-82-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.