305235
5-Methylbenzimidazole
98%
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About This Item
Empirical Formula (Hill Notation):
C8H8N2
CAS Number:
Molecular Weight:
132.16
PubChem Substance ID:
eCl@ss:
32151902
UNSPSC Code:
12352100
NACRES:
NA.22
EC Number:
210-401-4
MDL number:
Assay:
98%
InChI key
RWXZXCZBMQPOBF-UHFFFAOYSA-N
InChI
1S/C8H8N2/c1-6-2-3-7-8(4-6)10-5-9-7/h2-5H,1H3,(H,9,10)
SMILES string
Cc1ccc2[nH]cnc2c1
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)
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)
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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