1-Benzyl-3-(4-chlorophenyl)urea

HCID 730667CAS 13208-51-0

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: O=C(NCc1ccccc1)Nc1ccc(Cl)cc1
InChIKey: LPAFKALFDTZCSC-UHFFFAOYSA-N
Summenformel: C14H13ClN2O
Durchschnittliche Molmasse: 260,72 g/mol
Monoisotopische Masse: 260,0716407

Namen und Bezeichner

Bevorzugter Name: 1-Benzyl-3-(4-chlorophenyl)urea
IUPAC: 1-benzyl-3-(4-chlorophenyl)urea
Englischer Name: N-benzyl-N'-(4-chlorophenyl)urea
Summenformel: C14H13ClN2O
Molmasse: 260.72

Namen und Synonyme

1-benzyl-3-(4-chlorophenyl)urea13208-51-0DTXSID50352642RefChem:227996DTXCID20303707667-647-4N-benzyl-N'-(4-chlorophenyl)ureaCHEMBL48609531-(4-chlorophenyl)-3-benzylureaHMS1578A12Cambridge id 5154475SCHEMBL8177097

Weitere Namen anzeigen

Urea, N-(4-chlorophenyl)-N'-(phenylmethyl)-

LPAFKALFDTZCSC-UHFFFAOYSA-NBDBM50576364STK070211AKOS000489210ST040783N-(4-chlorophenyl)[benzylamino]carboxamideCS-0337862AG-617/02198035

Datenbank-Bezeichner

CAS: 13208-51-0
PubChem CID: 730667
DTXSID: DTXSID50352642
ChEMBL: CHEMBL4860953
EC Number: 667-647-4
Nikkaji: J3.220.877K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3
Polarare Oberfläche (TPSA): 41,1 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 3
Schwere Atome: 18
Formalladung: 0
Komplexität: 259

Physikochemische Eigenschaften

Schmelzpunkt: 188 · 188-190 °C(Solv: ethanol (64-17-5))
Siedepunkt: 392.9 · 392.9±42.0 °C(Predicted)
Dichte: 1.278 · 1.278±0.06 g/cm3(Predicted)
pka: 13.88 · 13.88±0.46(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 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.