2H-Benzimidazol-2-one, 1,3-dihydro-1-phenyl-

HCID 84657CAS 14813-85-5

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Grundinformationen

Standard-SMILES: O=c1[nH]c2ccccc2n1-c1ccccc1
InChIKey: OLMPQQPQSTVRPB-UHFFFAOYSA-N
Summenformel: C13H10N2O
Durchschnittliche Molmasse: 210,23 g/mol
Monoisotopische Masse: 210,07931295

Namen und Bezeichner

Bevorzugter Name: 2H-Benzimidazol-2-one, 1,3-dihydro-1-phenyl-
IUPAC: 3-phenyl-1H-benzimidazol-2-one
Englischer Name: 1-Phenyl-2,3-dihydro-1H-benzimidazole-2-one
Summenformel: C13H10N2O
Molmasse: 210.23

Namen und Synonyme

14813-85-52H-Benzimidazol-2-one, 1,3-dihydro-1-phenyl-1,3-Dihydro-1-phenyl-2H-benzimidazol-2-one1-phenyl-2,3-dihydro-1H-1,3-benzodiazol-2-oneDTXSID20163888RefChem:484249DTXCID2086379849-576-21-Phenyl-1H-benzo[d]imidazol-2(3H)-one3-phenyl-1H-benzimidazol-2-oneMFCD016588031-Phenylbenzimidazolin-2-one

Weitere Namen anzeigen

1-Phenylbenzimidazol-2(3H)-One1-Phenyl-1H-benzimidazole-2(3H)-one1-phenyl-1,3-dihydro-benzoimidazol-3-one

1-phenyl-1,3-dihydro-benzoimidazol-2-one2-Benzimidazolinone, 1-phenyl-1-Phenylbenzimidazole deriv. 521-Phenylbenzimidazolon1-Phenyl-2,3-dihydro-1H-benzimidazole-2-one1-Phenyl-2-benzimidazolinonehydroxyphenyl 1h benzimidazoleSCHEMBL699273

Datenbank-Bezeichner

CAS: 14813-85-5
PubChem CID: 84657
DTXSID: DTXSID20163888
ChEMBL: CHEMBL150912
EC Number: 849-576-2
Nikkaji: J101.835C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 32,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 16
Formalladung: 0
Komplexität: 273

Physikochemische Eigenschaften

Schmelzpunkt: 201 · 201-202 °C
Dichte: 1.264 · 1.264±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 11.61 · 11.61±0.30(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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.