5-Methylbenzimidazolone

HCID 223134CAS 5400-75-9

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Grundinformationen

Standard-SMILES: Cc1ccc2[nH]c(=O)[nH]c2c1
InChIKey: CTCHXZUMFHNSHM-UHFFFAOYSA-N
Summenformel: C8H8N2O
Durchschnittliche Molmasse: 148,16 g/mol
Monoisotopische Masse: 148,06366288

Namen und Bezeichner

Bevorzugter Name: 5-Methylbenzimidazolone
IUPAC: 5-methyl-1,3-dihydrobenzimidazol-2-one
Englischer Name: 5-METHYL-1,3-DIHYDRO-BENZIMIDAZOL-2-ONE
Summenformel: C8H8N2O
Molmasse: 148.16

Namen und Synonyme

5400-75-95-Methyl-1,3-dihydro-2H-benzimidazol-2-one2H-Benzimidazol-2-one, 1,3-dihydro-5-methyl-5-METHYLBENZOIMIDAZOL-2(3H)-ONE5-Methylbenzimidazolone3G2CJM7V6A5-Methyl-2-benzimidazolinoneNSC-103842-Benzimidazolinone, 5-methyl-5-Methyl-2(3H)-benzimidazolone5-Methylbenzimidazole-2-oneDTXSID90278872

Weitere Namen anzeigen

5-Methylbenzimidazol-2(3H)-one1H-Benzimidazol-2-ol, 5-methyl-5-Methyl-1H-benzimidazol-2(3H)-one5-Methyl-1H-benzo[d]imidazol-2(3H)

1,3-Dihydro-5-methyl-2H-Benzimidazol-2-oneRefChem:103175DTXCID60230028695-910-3CTCHXZUMFHNSHM-UHFFFAOYSA-N5-Methyl-1H-benzo[d]imidazol-2(3H)-one5-methyl-1,3-dihydrobenzimidazol-2-one5-methyl-1,3-dihydro-benzimidazol-2-one

Datenbank-Bezeichner

CAS: 5400-75-9
PubChem CID: 223134
DTXSID: DTXSID90278872
UNII: 3G2CJM7V6A
EC Number: 695-910-3
Nikkaji: J26.611F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 41,1 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 181

Physikochemische Eigenschaften

Schmelzpunkt: 292 °C · 292 °C(Solv: ethanol (64-17-5))
Siedepunkt: 147.7 · 147.7±10.0 °C(Predicted)
Dichte: 1.201 · 1.201±0.06 g/cm3(Predicted)
storage temp.: 2 · Sealed in dry,2-8°C
Aggregatzustand: solid
pka: 12.26 · 12.26±0.30(Predicted)
Farbe: Off-white to light yellow

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 106 reports by companies from 2 notifications to the ECHA C&L Inventory.；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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

hs_code: 2933998090
hazard_class: IRRITANT

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden5-Methyl-1H-benzo[d]imidazol-2(3H)-one is used in the preparation and structure activity relations of benzimidazolone as activators of chloride secretion and design of potential therapeutics for cystic fibrosis and chronic obstructive pulmonary disease