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About This Item
Empirical Formula (Hill Notation):
C6H6ClN
CAS Number:
Molecular Weight:
127.57
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
242-241-6
Beilstein/REAXYS Number:
107187
MDL number:
Product Name
2-Chloro-6-methylpyridine, 99%
InChI key
GXZDYRYYNXYPMQ-UHFFFAOYSA-N
InChI
1S/C6H6ClN/c1-5-3-2-4-6(7)8-5/h2-4H,1H3
SMILES string
Cc1cccc(Cl)n1
assay
99%
refractive index
n20/D 1.527 (lit.)
bp
64-68 °C/10 mmHg (lit.)
density
1.167 g/mL at 25 °C (lit.)
functional group
chloro
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Application
2-Chloro-6-methylpyridine has been used for experimental FTIR and FT-Raman spectroscopic analyses, as well as for conformational studies.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
165.2 °F - closed cup
flash_point_c
74 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
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V Arjunan et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 92, 305-317 (2012-03-27)
Experimental FTIR and FT-Raman spectroscopic analysis of 2-chloro-4-methyl-3-nitropyridine (2C4M3NP) and 2-chloro-6-methylpyridine (2C6MP) have been performed. A detailed quantum chemical calculations have been carried out using B3LYP and B3PW91 methods with 6-311++G** and cc-pVTZ basis sets. Conformation analysis was carried for
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