3-Chloro-4-nitropyridine - ≥97% , CAS No.13194-60-0

CAS: 13194-60-0 Cat. No.: C190557 Summenformel: C₅H₃ClN₂O₂ Molekulargewicht: 158.54 EG-Nummer: 887-085-5

GRADE & PURITY ≥97%

Synonyms

AB06349 | DS-11345 | Pyridine, 3-chloro-4-nitro- | DTXSID90376564 | Pyridine,3-chloro-4-nitro- | AC-27968 | AMY22908 | MFCD00490146 | A806336 | SCHEMBL827098 | AKOS015850487 | 3-chloro-4-nitropyridine | 3-chloro-4-nitro-pyridine | SY010069 | FT-0650312

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

AB06349 | DS-11345 | Pyridine, 3-chloro-4-nitro- | DTXSID90376564 | Pyridine,3-chloro-4-nitro- | AC-27968 | AMY22908 | MFCD00490146 | A806336 | SCHEMBL827098 | AKOS015850487 | 3-chloro-4-nitropyridine | 3-chloro-4-nitro-pyridine | SY010069 | FT-0650312

Spezifikationen & Reinheit

≥97%

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 488193327
• Kanonisches Lächeln: C1=CN=CC(=C1[N+](=O)[O-])Cl
• IUPAC Name: 3-chloro-4-nitropyridine
• InChIKey: CWLVEHGKYCYAIO-UHFFFAOYSA-N
• INCHI: 1S/C5H3ClN2O2/c6-4-3-7-2-1-5(4)8(9)10/h1-3H
• Isomere SMILES: C1=CN=CC(=C1[N+](=O)[O-])Cl
• Molekulargewicht: 158.54
• Reaxy-Rn: 1424340
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1424340&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: Pyridines and derivatives 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 - 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

• Molekulargewicht: 158.540 g/mol
• XLogP3: 1.300
• 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 ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 13194-60-0, the molecular formula is C5H3ClN2O2, and the molecular weight is 158.54 g/mol. InChIKey CWLVEHGKYCYAIO-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.