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305235

Sigma-Aldrich

5-Methylbenzimidazole

98%

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About This Item

Empirical Formula (Hill Notation):
C8H8N2
CAS Number:
Molecular Weight:
132.16
EC Number:
MDL number:
UNSPSC Code:
12352100
eCl@ss:
32151902
PubChem Substance ID:
NACRES:
NA.22

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

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 Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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The chemistry of the benzimidazoles.
J B WRIGHT
Chemical reviews, 48(3), 397-541 (1951-06-01)
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

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