α-Chlordesoxybenzoin

Ethanone, 2-chloro-1,2-diphenyl-

HCID 95343CAS 447-31-4

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Grundinformationen

Standard-SMILES: O=C(c1ccccc1)C(Cl)c1ccccc1
InChIKey: RXDYOLRABMJTEF-UHFFFAOYSA-N
Summenformel: C14H11ClO
Durchschnittliche Molmasse: 230,69 g/mol
Monoisotopische Masse: 230,0498427

Namen und Bezeichner

Bevorzugter Name: Ethanone, 2-chloro-1,2-diphenyl-
IUPAC: 2-chloro-1,2-diphenylethanone
Lokaler Name: α-Chlordesoxybenzoin
Englischer Name: DESYL CHLORIDE
Summenformel: C14H11ClO
Molmasse: 230.69

Namen und Synonyme

Desyl chloride2-Chloro-2-phenylacetophenone1,2-Diphenyl-2-chloroethanonealpha-Chlorobenzyl phenyl ketoneAcetophenone, 2-chloro-2-phenyl-NSC 2883Ethanone, 2-chloro-1,2-diphenyl-2-Chloro-1,2-diphenylethoneEINECS 207-181-7alpha-Chloro-alpha-phenyl acetophenoneBRN 0744474Acetophenone, alpha-chloro-alpha-phenyl-

Weitere Namen anzeigen

Desylchloride,98%AKOS BBS-00004804AVO Desyl ChlorideALPHA-CHLORODEOXYBENZOINALPHA-CHLORODESOXYBENZOIN2-chloro-1,2-diphenyl-ethonω-chloro-ω-phenylacetophenoneà-chloro-à-phenylacetophenone

AI3-22036Ethone, 2-chloro-1,2-diphenyl-3-07-00-02106 (Beilstein Handbook Reference)RefChem:592567Acetophenone, 2-chloro-2-phenyl-(8CI)Ethone, 2-chloro-1,2-diphenyl-(9CI)447-31-42-Chloro-1,2-diphenylethanone

Datenbank-Bezeichner

CAS: 447-31-4
PubChem CID: 95343
DTXSID: DTXSID50870538
EC Number: 207-181-7
Nikkaji: J11.380H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,4
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 3
Schwere Atome: 16
Formalladung: 0
Komplexität: 227

Physikochemische Eigenschaften

Schmelzpunkt: 62 · 62-63 °C(lit.)
Siedepunkt: 330 °C · 330°C (rough estimate)
Dichte: 1.1223 · 1.1223 (rough estimate)
Brechungsindex: 1.526 · 1.5260 (estimate)
storage temp.: 30 °C · Store below +30°C.
Aggregatzustand: powder to crystal
Farbe: White to Almost white
BRN: 744474 · 744474
InChI: InChI=1S/C14H11ClO/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13H
InChIKey: RXDYOLRABMJTEF-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC=CC=C1)C(Cl)C1=CC=CC=C1
CAS Datenbank: 447 · 447-31-4(CAS DataBase Reference)
EPA chemische Informationen: Desyl chloride (447-31-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (90.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.