2-Methylbenzimidazol
2-Methylbenzimidazole
Daten werden ergänzt – lade die Seite später neu, um den aktuellen Stand zu sehen
Grundinformationen
- CAS
30304-58-6- Standard-SMILES
Cc1nc2ccccc2[nH]1- InChIKey
LDZYRENCLPUXAX-UHFFFAOYSA-N- Summenformel
- C8H8N2
- Durchschnittliche Molmasse
- 132,16 g/mol
- Monoisotopische Masse
- 132,06874826
Überblick
2-Methyl-1H-benzo[d]imidazole is a member of benzimidazoles.
Namen und Bezeichner
- Bevorzugter Name
- 2-Methylbenzimidazole
- IUPAC
- 2-methyl-1H-benzimidazole
- Lokaler Name
- 2-Methylbenzimidazol
- Englischer Name
- 2-Methylbenzimidazole
- Summenformel
- C8H8N2
- Molmasse
- 132.16
Namen und Synonyme
2-METHYLBENZIMIDAZOLE615-15-62-Methyl-1H-benzimidazole1H-Benzimidazole, 2-methyl-1H-Benzimidazole, methyl-ZH8IWW7Y8BDTXSID5060641RefChem:882592-MBIADTXCID0043050210-411-92-methyl-1H-benzo[d]imidazole
Weitere Namen anzeigen
2-methyl-benzimidazolMethylbenziMidazoleAKOS 90363RARECHEM AQ NN 00672-METHYLENZIMIDAZOLE
Benzimidazole, 2-methyl-2-Methyl-1H-benzoimidazole2-METHYL-1H-1,3-BENZODIAZOLEMFCD00005598Acetamidine, N-N'-o-phenylene-2-METHYL-1H-1,3-BENZIMIDAZOLEMethyl-2-benzimidazole1H-2-Methylbenzimidazol
Datenbank-Bezeichner
- CAS
30304-58-6、615-15-6- PubChem CID
- 11984
- DTXSID
DTXSID5060641- ChEMBL
CHEMBL309135- ChEBI
CHEBI:194887- UNII
- ZH8IWW7Y8B
- EC Number
- 210-411-9
- Nikkaji
- J3.001E
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 2,2
- Polarare Oberfläche (TPSA)
- 28,7 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 124
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Imidazoles
SpringerMaterials PropertiesChemical shift
LogP1.84
Vapor Pressure0.0000274 [mmHg]
Physical DescriptionBeige crystalline solid; [Sigma-Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 175 · 175-177 °C (lit.)
- Siedepunkt
- 234.08 °C · 234.08°C (rough estimate)
- Dichte
- 1.1083 · 1.1083 (rough estimate)
- Brechungsindex
- 1.6013 · 1.6013 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- pka
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H302 (89.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 1H-Benzimidazole, 2-methyl-
1H-Benzimidazole, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant that may cause serious eye injury; Harmful by ingestion; [Sigma-Aldrich MSDS] See Benzimidazole.
Hazard Classes and CategoriesAcute Tox. 4 (89.6%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29339990
- RTECS-Nr.
- DD9100000
- risk_code
- 22-37/38-41-20/21/22
- hazard_code
- Xn
- safety_code
- 26-39-45-44
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information1H-Benzimidazole, 2-methyl-: ACTIVE
Anwendungen
Verwenden2-Methylbenzimidazole is an important pharmacophore widely used in medicinal chemistry for the synthesis of various antibacterial and antifungal agents.It can be used as a key precursor to synthesize substituted benzimidazo[1,2-a]quinolones.It can be used in the synthesis of reversible solid-to-liquid phase transition coordination polymer crystals.2-Methylbenzimidazole also exhibits corrosion inhibition.
Darstellung
synthetische2-Methylbenzimidazole is synthesized by the condensation of o-phenylenediamine with acetic acid. The mixture of o-phenylenediamine and acetic acid is heated at 100°C for 2 hours and then cooled slowly. 10% sodium hydroxide solution is added slowly to the mixture until it is slightly alkaline. The mixture is filtered and washed with cold water. The crude product is then recrystallized with water and decolorized with activated charcoal to obtain the final product. The yield is 68%.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Zugehörige Reaktionen
194
Notizen zur Verbindung
Wird geladen…