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About This Item
Empirical Formula (Hill Notation):
C6H5ClN2O2
CAS Number:
Molecular Weight:
172.57
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
assay
99%
mp
51-53 °C (lit.)
SMILES string
Cc1ccnc(Cl)c1[N+]([O-])=O
InChI
1S/C6H5ClN2O2/c1-4-2-3-8-6(7)5(4)9(10)11/h2-3H,1H3
InChI key
JHARVUVBTAAPLA-UHFFFAOYSA-N
General description
Experimental FTIR and FT-Raman spectroscopic analysis of 2-chloro-4-methyl-3-nitropyridine was reported.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk_germany
WGK 3
flash_point_f
235.4 °F - closed cup
flash_point_c
113 °C - closed cup
ppe
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
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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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