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

Technical Data

Safety and Hazards

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Computed Properties

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]

Publication Number	Title	Priority Date
US-11028300-B1	Environmentally friendly refrigerant compositions	20200916
WO-2021125292-A1	Methacrylic copolymer, production method therefor, methacrylic copolymer composition, and molded body	20191220
WO-2021127561-A1	Isoindolinone and indazole compounds for the degradation of egfr	20191220
WO-2021122745-A1	4-[[(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)amino]methyl]piperidin-3-ol compounds and their therapeutic use	20191216
WO-2021112020-A1	Squarylium compound, optical filter, and image acquisition device	20191204

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

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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

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