4-(1H-1,3-benzodiazol-2-yl)aniline

HCID 345677CAS 2963-77-1

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Grundinformationen

Standard-SMILES: Nc1ccc(-c2nc3ccccc3[nH]2)cc1
InChIKey: VQFBXSRZSUJGOF-UHFFFAOYSA-N
Summenformel: C13H11N3
Durchschnittliche Molmasse: 209,25 g/mol
Monoisotopische Masse: 209,09529736

Namen und Bezeichner

Bevorzugter Name: 4-(1H-1,3-benzodiazol-2-yl)aniline
IUPAC: 4-(1H-benzimidazol-2-yl)aniline
Englischer Name: 4-(1H-Benzoimidazol-2-yl)-phenylamine
Summenformel: C13H11N3
Molmasse: 209.25

Namen und Synonyme

4-(1H-1,3-benzodiazol-2-yl)anilineRefChem:510473657-427-62963-77-14-(1H-Benzo[d]imidazol-2-yl)aniline4-(1H-Benzimidazol-2-yl)aniline4-(1H-Benzoimidazol-2-yl)-phenylamineBenzenamine, 4-(1H-benzimidazol-2-yl)-MFCD004543954-(1H-benzimidazol-2-yl)phenylamine2-(4-aminophenyl)benzimidazole2-(4-aminophenyl)-1h-benzimidazole

Weitere Namen anzeigen

AKOS BB-7980ASISCHEM T31097imidazol-CHEMBRDG-BB 4101671TIMTEC-BB SBB0004854-(2-Benzimidazolyl)aniline4-(1H-Benzo[d]imidazol-2-yl)

TimTec1_0009982-(p-Aminophenyl)benzimidazole2-[p-Aminophenyl]benzimidazole2-(4-aminophenyl)-benzimidazoleDTXSID103232374-(1h-benzimidazol-2-yl) phenylamineSMR000015520SY079091

Datenbank-Bezeichner

CAS: 2963-77-1
PubChem CID: 345677
DTXSID: DTXSID10323237
ChEMBL: CHEMBL111951
EC Number: 657-427-6
Nikkaji: J340.017D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 54,7 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 16
Formalladung: 0
Komplexität: 235

Physikochemische Eigenschaften

Schmelzpunkt: 248 to · 248.0 to 252.0 °C
Siedepunkt: 466.3 · 466.3±47.0 °C(Predicted)
Dichte: 1.286 · 1.286±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to crystal
pka: 11.77 · 11.77±0.10(Predicted)
Farbe: White to Light yellow to Light orange

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (97.5%): 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 40 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.