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ChemicalBook--->CAS DataBase List--->23056-39-5

23056-39-5

23056-39-5 Structure

23056-39-5 Structure
IdentificationMore
[Name]

2-Chloro-4-methyl-3-nitropyridine
[CAS]

23056-39-5
[Synonyms]

2-CHLORO-3-NITRO-4-METHYLPYRIDINE
2-CHLORO-3-NITRO-4-PICOLINE
2-CHLORO-4-METHYL-3-NITROPYRIDINE
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
[Molecular Formula]

C6H5ClN2O2
[MDL Number]

MFCD00012347
[Molecular Weight]

172.57
[MOL File]

23056-39-5.mol
Chemical PropertiesBack Directory
[Appearance]

Light yellow Cryst
[Melting point ]

51-53 °C (lit.)
[Boiling point ]

279.6±35.0 °C(Predicted)
[density ]

1.406±0.06 g/cm3(Predicted)
[Fp ]

>230 °F
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
[form ]

Powder
[pka]

-1.80±0.10(Predicted)
[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)
Safety DataBack Directory
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R21/22:Harmful in contact with skin and if swallowed .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S36:Wear suitable protective clothing .
[RIDADR ]

UN2811
[WGK Germany ]

3
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29339900
Raw materials And Preparation ProductsBack Directory
[Raw materials]

2-Hydroxy-4-methyl-3-nitropyridine-->2-Amino-3-nitro-4-picoline-->4-Methylpyridin-2-amine
[Preparation Products]

3-AMINO-2-FLUORO-4-PICOLINE-->3-Fluoropyridine-4-carboxylic acid-->2-Chloro-4-methyl-5-nitropyridine-->4-bromo-6-methyl-1-tosyl-1H-pyrrolo[2,3-c]pyridin-7(6H)-one-->N-Cyclopropyl-4-Methyl-3-nitro-2-pyridinaMine-->2-Chloro-N-[2-(cyclopropylaMino)-4-Methyl-3-pyridinyl]-3-pyridinecarboxaMide-->3-Ethenyl Nevirapine
Hazard InformationBack Directory
[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].
2-Chloro-4-methyl-3-nitropyridine
[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.
Spectrum DetailBack Directory
[Spectrum Detail]

2-Chloro-4-methyl-3-nitropyridine(23056-39-5)1HNMR
2-Chloro-4-methyl-3-nitropyridine(23056-39-5)Raman
2-Chloro-4-methyl-3-nitropyridine(23056-39-5)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Chloro-3-nitro-4-picoline, 98%(23056-39-5)
[Alfa Aesar]

2-Chloro-4-methyl-3-nitropyridine, 97%(23056-39-5)
[Sigma Aldrich]

23056-39-5(sigmaaldrich)
[TCI AMERICA]

2-Chloro-4-methyl-3-nitropyridine,>98.0%(GC)(23056-39-5)
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