2-Methylbenzimidazole - CAS 615-15-6
Catalog: |
BB031156 |
Product Name: |
2-Methylbenzimidazole |
CAS: |
615-15-6 |
Synonyms: |
2-methyl-1H-benzimidazole; 2-methyl-1H-benzimidazole |
IUPAC Name: | 2-methyl-1H-benzimidazole |
Description: | 2-Methylbenzimidazole (CAS# 615-15-6) is used as a reagent in the synthesis of Chlormidazole Hydrochloride (C344000) and can also be used as a corrosion inhibitor for mild steel. |
Molecular Weight: | 132.16 |
Molecular Formula: | C8H8N2 |
Canonical SMILES: | CC1=NC2=CC=CC=C2N1 |
InChI: | InChI=1S/C8H8N2/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3,(H,9,10) |
InChI Key: | LDZYRENCLPUXAX-UHFFFAOYSA-N |
Boiling Point: | 339 °C |
Density: | 1.186 g/cm3 |
Appearance: | Beige crystalline solid |
MDL: | MFCD00005598 |
LogP: | 1.87130 |
Vapor Pressure: | 0.0000274 [mmHg] |
GHS Hazard Statement: | H302 (91.11%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
23125746 | 20121001 | Bis(2-methyl-1H-benzimidazol-3-ium) naphthalene-1,5-disulfonate | Acta crystallographica. Section E, Structure reports online |
22065669 | 20111001 | 2-Methyl-1H-benzimidazol-3-ium hydrogen phthalate | Acta crystallographica. Section E, Structure reports online |
22091123 | 20110801 | 2-Chloro-methyl-1-methyl-1,3-benzimidazole | Acta crystallographica. Section E, Structure reports online |
20801712 | 20101101 | Spectroscopic investigation of the interaction between diperoxovanadate complexes and benzimidazole-like ligands | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
21588872 | 20101023 | Bis[bis-(3,5-diamino-1H-1,2,4-triazol-4-ium)copper(I)] tris-(hexa-fluoridosilicate) | Acta crystallographica. Section E, Structure reports online |
Complexity: | 124 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 132.068748264 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 132.068748264 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 28.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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