4'-Chloro-2-phenylacetophenone

HCID 233840CAS 1889-71-0

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Grundinformationen

Standard-SMILES: O=C(Cc1ccccc1)c1ccc(Cl)cc1
InChIKey: DXVALSKCLLBZEB-UHFFFAOYSA-N
Summenformel: C14H11ClO
Durchschnittliche Molmasse: 230,69 g/mol
Monoisotopische Masse: 230,0498427

Namen und Bezeichner

Bevorzugter Name: 4'-Chloro-2-phenylacetophenone
IUPAC: 1-(4-chlorophenyl)-2-phenylethanone
Englischer Name: 4'-Chloro-2-phenylacetophenone
Summenformel: C14H11ClO
Molmasse: 230.69

Namen und Synonyme

4'-Chloro-2-phenylacetophenoneRefChem:506048606-161-9Benzyl 4-chlorophenyl ketone1889-71-01-(4-chlorophenyl)-2-phenylethanone4-Chlorodeoxybenzoin1-(4-chlorophenyl)-2-phenylethan-1-oneMFCD00016342Ethanone, 1-(4-chlorophenyl)-2-phenyl-4/'-Chloro-2-phenylacetophenone1-(4-chlorophenyl)-2-phenyl-ethanone

Weitere Namen anzeigen

CHLORODEOXYBENZOINCHLOROPHENYL KETONE4-ChlorodeoxybenzoineDEOXY-4-CHLOROBENZOIN4-CHLOROPHENYLBENZYL KETONE-Chloro-2-phenylacetophenone

4-CHLORODESOXY BENZOINNSC99455Benzyl4-chlorophenylketonebenzyl p-chlorophenyl ketonebenzyl(p-chlorophenyl)ketone4-chlorophenyl benzyl ketoneNCIOpen2_006717MLS000851416

Datenbank-Bezeichner

CAS: 1889-71-0
PubChem CID: 233840
DTXSID: DTXSID10283680
ChEMBL: CHEMBL1428298
EC Number: 606-161-9
Nikkaji: J469.936J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,8
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 3
Schwere Atome: 16
Formalladung: 0
Komplexität: 225

Physikochemische Eigenschaften

Schmelzpunkt: 103 · 103-107 °C(lit.)
Siedepunkt: 187 °C/8mmHg · 187°C/8mmHg(lit.)
Dichte: 1.191 · 1.191±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
Farbe: White to Orange to Green
BRN: 976443 · 976443
InChI: InChI=1S/C14H11ClO/c15-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey: DXVALSKCLLBZEB-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC=C(Cl)C=C1)CC1=CC=CC=C1
CAS Datenbank: 1889 · 1889-71-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 2.3% (1 of 43) of reports.

Danger

H317 (95.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (95.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P261, P264+P265, P272, P280, P302+P352, P305+P354+P338, P317, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 43 reports by companies.；There are 3 notifications provided by 42 of 43 reports by companies with hazard statement code(s).；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.