2-Chloro-4-nitropyridine - ≥98% , CAS No.23056-36-2

CAS: 23056-36-2 Cat. No.: C119970 Summenformel: C₅H₃ClN₂O₂ Molekulargewicht: 158.54 Beilstein Registry Number: 120418 EG-Nummer: 627-980-8

GRADE & PURITY ≥98%

Synonyms

BCP26367 | W-201963 | AJ-333/25006257 | Pyridine, 2-chloro-4-nitro- | 2-chloro-4nitropyridine | 2-Chloro-4-nitropyridine | 2-chloro-4-nitro-pyridine | 2chloro-4-nitropyridine | AKOS000320214 | SCHEMBL190411 | C2283 | STL227623 | LIEPVGBDUYKPLC-UHFFFAOYSA-

Storage

Room temperature

Shipped In

Normal

Übersicht

Starting material used in a tetrabutylammonium salt denitration leading to fluoro-, hydroxy- and methoxypyridines

Specifications

Synonyme

BCP26367 | W-201963 | AJ-333/25006257 | Pyridine, 2-chloro-4-nitro- | 2-chloro-4nitropyridine | 2-Chloro-4-nitropyridine | 2-chloro-4-nitro-pyridine | 2chloro-4-nitropyridine | AKOS000320214 | SCHEMBL190411 | C2283 | STL227623 | LIEPVGBDUYKPLC-UHFFFAOYSA-

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488191293
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191293
• Kanonisches Lächeln: C1=CN=C(C=C1[N+](=O)[O-])Cl
• IUPAC Name: 2-chloro-4-nitropyridine
• InChIKey: LIEPVGBDUYKPLC-UHFFFAOYSA-N
• INCHI: 1S/C5H3ClN2O2/c6-5-3-4(8(9)10)1-2-7-5/h1-3H
• Isomere SMILES: C1=CN=C(C=C1[N+](=O)[O-])Cl
• WGK Deutschland: 3
• Molekulargewicht: 158.54
• Beilstein: 120418
• Reaxy-Rn: 120418
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=120418&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic 1,3-dipolar compounds
    • Klasse Allyl-type 1,3-dipolar organic compounds
      • Subclass Organic nitro compounds
        • Ebene5 C-nitro compounds
          • Ebene6 Nitroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organic 1,3-dipolar compounds
• Klasse: Allyl-type 1,3-dipolar organic compounds
• Subclass: Organic nitro compounds
• Intermediate Tree Nodes: C-nitro compounds
• Direct Parent: Nitroaromatic compounds
• Alternative Parents: 2-halopyridines Aryl chlorides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitroaromatic compound - 2-halopyridine - Aryl chloride - Aryl halide - Pyridine - Heteroaromatic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Organonitrogen compound - Organochloride - Organic oxygen compound - Organohalogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 54°C
• Molekulargewicht: 158.540 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 157.988 Da
• Monoisotopic Mass: 157.988 Da
• Topological Polar Surface Area: 58.700 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 136.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 23056-36-2, the molecular formula is C5H3ClN2O2, and the molecular weight is 158.54 g/mol. InChIKey LIEPVGBDUYKPLC-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.