(2-Chlorophenyl)diphenylmethanol

HCID 298659CAS 66774-02-5

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Grundinformationen

Standard-SMILES: OC(c1ccccc1)(c1ccccc1)c1ccccc1Cl
InChIKey: KTVAHLGKTSPDOG-UHFFFAOYSA-N
Summenformel: C19H15ClO
Durchschnittliche Molmasse: 294,8 g/mol
Monoisotopische Masse: 294,08114278

Überblick

TRAM-3 is an organochlorine compound.

Namen und Bezeichner

Bevorzugter Name: (2-Chlorophenyl)diphenylmethanol
IUPAC: (2-chlorophenyl)-diphenylmethanol
Englischer Name: CLOTRIMAZOLE IMP. A (PHARMEUROPA): (2-CHLOROPHENYL)DIPHENYLMETHANOL
Summenformel: C19H15ClO
Molmasse: 294.78

Namen und Synonyme

(2-Chlorophenyl)diphenylmethanol66774-02-5TRAM 3o-ChlorophenyldiphenylmethanolNSC-17088277N69DJ59QDTXSID80305489Benzenemethanol, 2-chloro-alpha,alpha-diphenyl-CLOTRIMAZOLE IMPURITY A [EP IMPURITY]BENZENEMETHANOL, 2-CHLORO-.ALPHA.,.ALPHA.-DIPHENYL-CLOTRIMAZOLE IMPURITY A (EP IMPURITY)RefChem:395679

Weitere Namen anzeigen

ClotriMazole IMpurity AClotriMazole Related CoMpound ANSC 170882MDK 4025,MDK40252-Chlorotrityl alcoholo-chlorotriphenylmethanol2-CHLOROPHENYL DIPHENYL METHANOL

DTXCID30256619Clotrimazole EP Impurity A2-CHLOROTRITANOLTRAM-3(2-chlorophenyl)-diphenylmethanolC19H15ClOMDK-4025MFCD00093802

Datenbank-Bezeichner

CAS: 66774-02-5
PubChem CID: 298659
DTXSID: DTXSID80305489
ChEMBL: CHEMBL116995
ChEBI: CHEBI:34989
UNII: 77N69DJ59Q
EC Number: 641-547-0
Nikkaji: J23.863E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,7
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 3
Schwere Atome: 21
Formalladung: 0
Komplexität: 300

Physikochemische Eigenschaften

Schmelzpunkt: 91 · 91-92 °C(Solv: acetic acid (64-19-7))
Siedepunkt: 144 · 144-146 °C(Press: 0.01 Torr)
Dichte: 1.216 · 1.216±0.06 g/cm3(Predicted)
storage temp.: Refrigerator
Löslichkeit: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 12.36 · 12.36±0.29(Predicted)
Farbe: White to Pale Yellow
Major Application: pharmaceutical small molecule
InChI: InChI=1S/C19H15ClO/c20-18-14-8-7-13-17(18)19(21,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,21H
InChIKey: KTVAHLGKTSPDOG-UHFFFAOYSA-N
SMILES: C(O)(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1Cl

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

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

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 146 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

wgk: WGK 3
hs_code: 2906290000
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 4Eye Dam. 1Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden(2-Chlorophenyl)diphenylmethane is a triarylmethane with antiproliferative activity. (2-Chlorophenyl)diphenylmethane is a degradation product of the antifungal agent Clotrimazole (C587400).