1-(4-Fluorobenzyl)-2-chlorobenzimidazole

HCID 3020241CAS 84946-20-3

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Grundinformationen

Standard-SMILES: Fc1ccc(Cn2c(Cl)nc3ccccc32)cc1
InChIKey: PGXALMVNIRPELS-UHFFFAOYSA-N
Summenformel: C14H10ClFN2
Durchschnittliche Molmasse: 260,69 g/mol
Monoisotopische Masse: 260,0516542

Namen und Bezeichner

Bevorzugter Name: 1-(4-Fluorobenzyl)-2-chlorobenzimidazole
IUPAC: 2-chloro-1-[(4-fluorophenyl)methyl]benzimidazole
Englischer Name: 1-(4-Fluorobenzyl)-2-chlorobenzimidazole
Summenformel: C14H10ClFN2
Molmasse: 260.69

Namen und Synonyme

84946-20-31-(4-Fluorobenzyl)-2-chlorobenzimidazoleEINECS 284-624-0572KOO4QPT2-chloro-1-[(4-fluorophenyl)methyl]-1H-benzimidazole2-Chloro-1-(4-fluorobenzyl)-1H-benzimidazoleDTXSID402339912-Chloro-1-((4-fluorophenyl)methyl)-1H-benzimidazole1H-Benzimidazole, 2-chloro-1-[(4-fluorophenyl)methyl]-1H-BENZIMIDAZOLE, 2-CHLORO-1-((4-FLUOROPHENYL)METHYL)-RefChem:425479DTXCID70156482

Weitere Namen anzeigen

1-(4-Fluorobenzyl)-2Mizolastine Impurity 191-(4-Fluorobenzyl)-2-Chloro-BeN-METHYL-N-(-CHLOROETHYL) ANILINE3-(4'-FLUOROBENZY)-2-CHLOROBENZIMIDAZOLE1-(4-FLUOROBENZYL)-2-CHLOROBENZIMIDAZOL&1-(4-Flourobenzyl)-2-chlorobenzimidazole3-(4-Fluorobenzyl)-2-Chlorobenzimidazole

2-chloro-1-(4-fluorobenzyl)-1H-benzo[d]imidazole2-Chloro-1-(4-Fluorobenzyl)benzimidazole1-(4-Fluorobenzyl)-2-chloro-benzimidazole2-chloro-1-[(4-fluorophenyl)methyl]benzimidazoleMFCD008002402-Chloro-1-(4-fluoro-benzyl)-1H-benzoimidazole1-(4-fluorobenzyl)-2-chloro-1H-benzo[d]imidazole2-Chloro-1-(4-fluorobenzyl)-1H-benzimidazole;

Datenbank-Bezeichner

CAS: 84946-20-3
PubChem CID: 3020241
DTXSID: DTXSID40233991
UNII: 572KOO4QPT
EC Number: 284-624-0
Nikkaji: J333.637I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,1
Polarare Oberfläche (TPSA): 17,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 18
Formalladung: 0
Komplexität: 281

Physikochemische Eigenschaften

Schmelzpunkt: 83 · 83-87 °C(lit.)
Siedepunkt: 432.3 · 432.3±47.0 °C(Predicted)
Dichte: 1.3 · 1.30±0.1 g/cm3(Predicted)
storage temp.: 2 · Inert atmosphere,2-8°C
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to crystal
pka: 3.42 · 3.42±0.10(Predicted)
Farbe: White to Almost white
InChI: InChI=1S/C14H10ClFN2/c15-14-17-12-3-1-2-4-13(12)18(14)9-10-5-7-11(16)8-6-10/h1-8H,9H2
InChIKey: PGXALMVNIRPELS-UHFFFAOYSA-N
SMILES: C1(Cl)N(CC2=CC=C(F)C=C2)C2=CC=CC=C2N=1
CAS Datenbank: 84946 · 84946-20-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 2 of 2 reports by companies.；There are 0 notifications provided by 0 of 2 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.