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304360

Sigma-Aldrich

2-Chloro-4-methyl-3-nitropyridine

99%

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About This Item

Empirical Formula (Hill Notation):
C6H5ClN2O2
CAS Number:
23056-39-5
Molecular Weight:
172.57
MDL number:
MFCD00012347
UNSPSC Code:
12352100
PubChem Substance ID:
24858367
NACRES:
NA.22

Assay

99%

mp

51-53 °C (lit.)

functional group

chloro
nitro

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.[1]

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

304360-100MG:
304360-1G:
304360-BULK:
304360-VAR:

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Certificates of Analysis (COA)

Lot/Batch Number
01328PH
04429HD
17404TO
08511DB
13018JI

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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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