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2-Chloro-4-methyl-3-nitropyridine

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2-Chloro-4-methyl-3-nitropyridine Basic information

Product Name:
2-Chloro-4-methyl-3-nitropyridine
Synonyms:
  • 2-Chloro-4-Methyl-3-NP
  • 2-CHLORO-4-METHYL-3-NITROPYRIDINE
  • 2-CHLORO-3-NITRO-4-METHYLPYRIDINE
  • 2-CHLORO-3-NITRO-4-PICOLINE
  • PYRIDINE, 2-CHLORO-4-METHYL-3-NITRO-
  • 2-CHLORO-3-NITRO-4-PICOLINE (2-CHLORO-4-METHYL-3-NITROPYRIDINE)
  • 3-Nitro-2-chloro-4-methylpyridine
  • 2-Chloro-3-nitro-4-picoline,98%
CAS:
23056-39-5
MF:
C6H5ClN2O2
MW:
172.57
Product Categories:
  • Non-nucleoside Reverse Transcriptase
  • Amines
  • Pyridine
  • Pyridines, Pyrimidines, Purines and Pteredines
  • Aromatics
  • Heterocycles
  • Pyridine series
  • Heterocyclic Compounds
  • Pyridines
  • Chloropyridines
  • Halopyridines
  • Boronic Acid
  • C6Heterocyclic Building Blocks
  • Halogenated Heterocycles
  • Heterocyclic Building Blocks
  • Heterocycle-Pyridine series
Mol File:
23056-39-5.mol
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2-Chloro-4-methyl-3-nitropyridine Chemical Properties

Melting point:
51-53 °C (lit.)
Boiling point:
279.6±35.0 °C(Predicted)
Density 
1.406±0.06 g/cm3(Predicted)
Flash point:
>230 °F
storage temp. 
Keep in dark place,Sealed in dry,Room Temperature
solubility 
Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
pka
-1.80±0.10(Predicted)
form 
Powder
color 
Yellow to beige
Sensitive 
Hygroscopic
InChI
InChI=1S/C6H5ClN2O2/c1-4-2-3-8-6(7)5(4)9(10)11/h2-3H,1H3
InChIKey
JHARVUVBTAAPLA-UHFFFAOYSA-N
SMILES
C1(Cl)=NC=CC(C)=C1[N+]([O-])=O
CAS DataBase Reference
23056-39-5(CAS DataBase Reference)
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Safety Information

Hazard Codes 
Xi,Xn
Risk Statements 
36/37/38-21/22
Safety Statements 
26-37/39-36/37/39-36
RIDADR 
UN2811
WGK Germany 
3
HazardClass 
6.1
PackingGroup 
III
HS Code 
29333999

MSDS

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2-Chloro-4-methyl-3-nitropyridine Usage And Synthesis

Chemical Properties

Light yellow Cryst

Uses

2-Chloro-4-methyl-3-nitropyridine is a cyclopropyldipyridodiazepinone derivative for use as non-nucleoside reverse transcriptase inhibitors.

Definition

2-Chloro-4-methyl-3-nitropyridine (2C4M3NP) is a nitropyridine derivative that could form an acceptor fragment of 2-adamantylamino-5-nitropyridine (AANP). This crystal shows a particularly large optical non-linearity. It is observed that the mean C-C (ring) bond distance calculated between the ring carbon atoms of 2C4M3NP is 1.387 Å. In X-ray data of pyridine, the mean C-C (ring) bond distance is 1.394 Å. The C-H bond distances are found to be 1.081 Å. The computed values of C-C (ring) and C-H are slightly higher than that of the experimental value. This is attributed to the substituents present in the pyridine. The C-C-C bond angle where the -Cl and -NO2 group is attached with the middle carbon is more than 120? while the C-C-C bond angle where the -CH3 is substituted is less than 120? in 2C4M3NP. The N-C-CH3 bond angle (116.3) is less than that of the C-C-CH3 (124.2) probably due to the weak hydrogen bond formed between the nitrogen and hydrogen of the methyl group[1].

General Description

Experimental FTIR and FT-Raman spectroscopic analysis of 2-chloro-4-methyl-3-nitropyridine was reported.

References

[1] Arjunan, V. , et al. "A comparative study on vibrational, conformational and electronic structure of 2-chloro-4-methyl-3-nitropyridine and 2-chloro-6-methylpyridine." Spectrochimica Acta Part A Molecular & Biomolecular Spectroscopy 92.none(2012):305-317.

2-Chloro-4-methyl-3-nitropyridine Preparation Products And Raw materials

Preparation Products

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