2-Chloro-3-nitropyridine

CAS Number: 34515-82-7

Molecular Formula: C5H3ClN2O2

Purity: 2-Chloro-3-nitropyridine ≥ 99% purity

About 2-Chloro-3-nitropyridine

2-Chloro-3-Nitropyridine is a highly versatile heterocyclic building block characterised by its dual-functionalised ring system. Pyridine, 2chloro3nitroc's presence of both a highly reactive chlorine atom at the C2 position and a strong electron-withdrawing nitro group at C3 creates a "hotspot" for regioselective chemi...

2-Chloro-3-nitropyridine Specifications

CAS Number

34515-82-7

Molecular Formula

C5H3ClN2O2

Molecular Weight

158.54

IUPAC Name

2-chloro-3-nitropyridine

Canonical SMILES

C1=CC(=C(N=C1)Cl)[N+](=O)[O-]

InChI Key

UUOLETYDNTVQDY-UHFFFAOYSA-N

InChI

1S/C5H3ClN2O2/c6-5-4(8(9)10)2-1-3-7-5/h1-3H

EINECS Number

226-799-8

MDL Number

MFCD00006232

HSN No

29333990

CAS Number

34515-82-7

Molecular Formula

C5H3ClN2O2

Molecular Weight

158.54

IUPAC Name

2-chloro-3-nitropyridine

Canonical SMILES

C1=CC(=C(N=C1)Cl)[N+](=O)[O-]

InChI Key

UUOLETYDNTVQDY-UHFFFAOYSA-N

InChI

1S/C5H3ClN2O2/c6-5-4(8(9)10)2-1-3-7-5/h1-3H

EINECS Number

226-799-8

MDL Number

MFCD00006232

HSN No

29333990

Molecular Weight

158.54

Melting Point (Experimental)

100-102°C

Boiling Point (Predicted)

260.277±20.00°C Press: 760.00 Torr

Density (Predicted)

1.489±0.06 g/cm3 Temp: 25°C; Press: 760 Torr

pKa (Predicted)

-2.598±0.10 Most Basic Temp: 25 °C

Assay/Purity

2-Chloro-3-nitropyridine ≥ 99% purity

Purity

2-Chloro-3-nitropyridine 99% purity

Physical appearance

Yellow powder to crystal

Melting Point

100-104 °C

Boiling Point

260.3 °C

Flash Point

185 °C (365 °F)

Density

1.6616 g/cm3

pKa

-2.60±0.10(Predicted)

Precise Quality

157.98800

PSA

58.7 Å²

logP

1.6

Hazard Classes and Categories

Acute Tox. 3 (83.7%), Acute Tox. 4 (12.2%), Skin Irrit. 2 (100%), Eye Irrit. 2 (100%), STOT SE 3 (98%)

Precautionary Statement Codes

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 Acute Tox. 4 (12.2%)

Pharmaceutical API Synthesis

Pivotal intermediate in the production of JAK inhibitors (e.g., Tofacitinib), anti-retroviral drugs (e.g., Nevirapine), and various kinase inhibitors

Specialty Chemical Catalysis

2,4,6-Collidine (Symmetrical Trimethylpyridine) - Gold Standard - sterically hindered base used in organic synthesis, particularly in the protection of alcohols (TBS/TMS ethers) and peptide coupling

Crop Protection Technology

Development of next-generation herbicides and fungicides that require specific nitrogen-heterocyclic cores

Materials Science

Precursors for specialised ligands in coordination chemistry and high-performance organic electronics (OLEDs)

Pharmaceutical Intermediate

A pharmaceutical intermediate used in the synthesis of 2-chloro-3-aminopyridine, drug candidates for treating digestive system diseases like pirenzepine, and diazepine-class anti-AIDS medications.

COA

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