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305235

5-Methylbenzimidazole

Name: 5-Methylbenzimidazole
Brand: ALDRICH

98%

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About This Item

Empirical Formula (Hill Notation):

C₈H₈N₂

CAS Number:

614-97-1

Molecular Weight:

132.16

PubChem Substance ID:

24858414

eCl@ss:

32151902

UNSPSC Code:

12352100

NACRES:

NA.22

EC Number:

210-401-4

MDL number:

MFCD00010740

Assay:

98%

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Properties

assay

98%

bp

169-172 °C/1 mmHg (lit.)

mp

114-117 °C (lit.)

solubility

chloroform: soluble 25 mg/mL, clear to very slightly hazy (Colorless to brown)

SMILES string

Cc1ccc2[nH]cnc2c1

InChI

1S/C8H8N2/c1-6-2-3-7-8(4-6)10-5-9-7/h2-5H,1H3,(H,9,10)

InChI key

RWXZXCZBMQPOBF-UHFFFAOYSA-N

Description

General description

The FT-IR and FT-Raman spectra of 5-methylbenzimidazole was investigated by density functional theory.

Application

5-Methylbenzimidazole was used as a camphor substitute.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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The chemistry of the benzimidazoles.

J B WRIGHT

Chemical reviews, 48(3), 397-541 (1951-06-01)

Molecular structure and vibrational spectra of 2- and 5-methylbenzimidazole molecules by density functional theory.

M Tahir Güllüoglu et al.

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 76(2), 107-114 (2010-04-17)

The FT-IR and FT-Raman spectra of 2-methylbenzimidazole (2-MB) and 5-methylbenzimidazole (5-MB) molecules have been recorded between 400-4000 cm(-1) and 50-3500 cm(-1) region, respectively. The molecular geometry and vibrational frequencies of 2- and 5-MB molecules in the ground state have been

Global Trade Item Number

SKU	GTIN
305235-5G	04061833313572