2,4'-Dichloroacetanilide

HCID 94920CAS 3289-75-6

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Grundinformationen

Standard-SMILES: O=C(CCl)Nc1ccc(Cl)cc1
InChIKey: UDRCRMHFHHTVSN-UHFFFAOYSA-N
Summenformel: C8H7Cl2NO
Durchschnittliche Molmasse: 204,05 g/mol
Monoisotopische Masse: 202,9904692

Namen und Bezeichner

Bevorzugter Name: 2,4'-Dichloroacetanilide
IUPAC: 2-chloro-N-(4-chlorophenyl)acetamide
Englischer Name: N-(4-Chlorophenyl)-2-chloroacetamide
Summenformel: C8H7Cl2NO
Molmasse: 204.05

Namen und Synonyme

2,4'-DichloroacetanilideRefChem:442657636-504-82-chloro-N-(4-chlorophenyl)acetamide3289-75-6N-(4-Chlorophenyl)-2-chloroacetamideN1-(4-Chlorophenyl)-2-ChloroacetamideMFCD00018904Acetamide, 2-chloro-N-(4-chlorophenyl)-NSC-83692,4 inverted exclamation marka-DichloroacetanilideNSC8369

Weitere Namen anzeigen

AKOS 92092AKOS B015617AKOS BBS-00003958ART-CHEM-BB B015617Acetanilide,2,4’-dichloro-4-Chloro-N-(chloroacetyl)aniline

N-(4-Chlorophenyl)chloroacetamideNSC 8369AI3-23540Chloroacet-4-chloroanilidealpha,4-Dichloroacetanilide2-Chloro-4'-chloroacetanilideAcetanilide, 2,4'-dichloro-GNF-Pf-1811

Datenbank-Bezeichner

CAS: 3289-75-6
PubChem CID: 94920
DTXSID: DTXSID90186544
ChEMBL: CHEMBL531947
UNII: PZ985JU2E3
EC Number: 636-504-8
Nikkaji: J1.395.872F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 29,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 12
Formalladung: 0
Komplexität: 155

Physikochemische Eigenschaften

Schmelzpunkt: 168 °C · 168 °C
Siedepunkt: 368.8 · 368.8±27.0 °C(Predicted)
Dichte: 1.399 · 1.399±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: Solid
pka: 12.02 · 12.02±0.70(Predicted)
Farbe: Light brown to brown
CAS Datenbank: 3289 · 3289-75-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H317 (95.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (100%): 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 41 reports by companies from 3 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.