3-Chloro-2-nitropyridine - ≥98%(GC) , CAS No.54231-32-2

CAS: 54231-32-2 Cat. No.: C135970 Summenformel: C₅H₃ClN₂O₂ Molekulargewicht: 158.54 Beilstein Registry Number: 20(5)5,451 EG-Nummer: 678-886-9

GRADE & PURITY ≥98%(GC)

Synonyms

MFCD00490110 | AKOS005145875 | SY020023 | BCP22980 | DTXSID50339256 | 3-Chloro-2-nitro pyridine | A7886 | chloronitropyridine | chloro-nitropyridine | C1765 | AMY5181 | FT-0615360 | 3-Chloro-2-nitropyridine | 3-chloro-2-nitro-pyridine | Pyridine, 3-chloro

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

MFCD00490110 | AKOS005145875 | SY020023 | BCP22980 | DTXSID50339256 | 3-Chloro-2-nitro pyridine | A7886 | chloronitropyridine | chloro-nitropyridine | C1765 | AMY5181 | FT-0615360 | 3-Chloro-2-nitropyridine | 3-chloro-2-nitro-pyridine | Pyridine, 3-chloro

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

• Pubchem Sid: 488190272
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190272
• Kanonisches Lächeln: C1=CC(=C(N=C1)[N+](=O)[O-])Cl
• IUPAC Name: 3-chloro-2-nitropyridine
• InChIKey: PSGASDJUCYTRAD-UHFFFAOYSA-N
• INCHI: 1S/C5H3ClN2O2/c6-4-2-1-3-7-5(4)8(9)10/h1-3H
• Isomere SMILES: C1=CC(=C(N=C1)[N+](=O)[O-])Cl
• Molekulargewicht: 158.54
• Beilstein: 20(5)5,451
• Reaxy-Rn: 1637069
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1637069&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 Imidolactams 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 - Imidolactam - Heteroaromatic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Organonitrogen compound - Organochloride - Organic oxide - Organic oxygen compound - Organohalogen compound - 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

• Löslichkeit: Soluble in Methanol
• Schmelzpunkt (°C): 89-92°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