Grundinformationen
- Standard-SMILES
Cn1cnc2cc(C=O)ccc21- InChIKey
PZIDCZRIHGNHPD-UHFFFAOYSA-N- Summenformel
- C9H8N2O
- Durchschnittliche Molmasse
- 160,17 g/mol
- Monoisotopische Masse
- 160,06366288
Namen und Bezeichner
- Bevorzugter Name
- 1-methyl-1H-1,3-benzodiazole-5-carbaldehyde
- IUPAC
- 1-methylbenzimidazole-5-carbaldehyde
- Englischer Name
- 1H-Benzimidazole-5-carboxaldehyde,1-methyl-
- Summenformel
- C9H8N2O
- Molmasse
- 160.17
Namen und Synonyme
1-methyl-1H-1,3-benzodiazole-5-carbaldehydeRefChem:433806827-806-2279226-70-91-Methyl-1H-benzimidazole-5-carboxaldehyde1-methylbenzimidazole-5-carbaldehyde1-methyl-1H-benzo[d]imidazole-5-carbaldehydeMFCD092610521-Methylbenzimidazole-5-carboxaldehyde1H-Benzimidazole-5-carboxaldehyde,1-methyl-1H-Benzimidazole-5-carboxaldehyde, 1-methyl-1-methyl-1h-benzimidazole-5-carbaldehyde
Weitere Namen anzeigen
1-methyl-5-benzimidazolecarboxaldehyde1H-Benzimidazole-5-carboxaldehyde, 1-methyl- (9CI)
SCHEMBL541566SCHEMBL14054221DTXSID20591546WZG0228PZIDCZRIHGNHPD-UHFFFAOYSA-NAKOS006238115AS-33245SY031879
Datenbank-Bezeichner
- CAS
279226-70-9- PubChem CID
- 17904497
- DTXSID
DTXSID20591546- EC Number
- 827-806-2
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,9
- Polarare Oberfläche (TPSA)
- 34,9 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 183
Physikochemische Eigenschaften
- storage temp.
- 2 · 2-8°C, stored under nitrogen
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302
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