2-Methylbenzimidazol

2-Methylbenzimidazole

HCID 11984CAS 30304-58-6

Grundinformationen

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 Struktureigenschaften

XLogP
2,2
Polarare Oberfläche (TPSA)
28,7 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
0
Schwere Atome
10

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)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 · 2 Einträge

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

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information1H-Benzimidazole, 2-methyl-: ACTIVE
Anwendungen · 1 Eintrag

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 · 1 Eintrag

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%.

Anbieter50 Anbieter

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