2-Chloro-3,5-dinitropyridine - ≥98%(GC) , CAS No.2578-45-2

CAS: 2578-45-2 Cat. No.: C138571 Summenformel: C₅H₂ClN₃O₄ Molekulargewicht: 203.54 Beilstein Registry Number: 20(3/4)2536 EG-Nummer: 219-937-3

GRADE & PURITY ≥98%(GC)

Synonyms

2-Chloro-3.5-dinitropyridine | C5H2ClN3O4 | AC-9243 | 2-Chloro-3,5-dinitropyridine, 99% | SCHEMBL985995 | AC-907/25014030 | DTXSID7062532 | W-202087 | 3,5-dinitro-2-chloropyridine | SY008445 | Pyridine, 2-chloro-3,5-dinitro | Pyridine, 2-chloro-3,5-dinitr

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

2-Chloro-3.5-dinitropyridine | C5H2ClN3O4 | AC-9243 | 2-Chloro-3,5-dinitropyridine, 99% | SCHEMBL985995 | AC-907/25014030 | DTXSID7062532 | W-202087 | 3,5-dinitro-2-chloropyridine | SY008445 | Pyridine, 2-chloro-3,5-dinitro | Pyridine, 2-chloro-3,5-dinitr

Spezifikationen & Reinheit

≥98%(GC)

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

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

Reinheit

≥98%(GC)

Namen und Kennungen

• Pubchem Sid: 504754987
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754987
• Kanonisches Lächeln: C1=C(C=NC(=C1[N+](=O)[O-])Cl)[N+](=O)[O-]
• IUPAC Name: 2-chloro-3,5-dinitropyridine
• InChIKey: QLHVJBXAQWPEDI-UHFFFAOYSA-N
• INCHI: 1S/C5H2ClN3O4/c6-5-4(9(12)13)1-3(2-7-5)8(10)11/h1-2H
• Isomere SMILES: C1=C(C=NC(=C1[N+](=O)[O-])Cl)[N+](=O)[O-]
• RTECS: US6504750
• Molekulargewicht: 203.54
• Beilstein: 20(3/4)2536
• Reaxy-Rn: 196026
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=196026&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

• Empfindlichkeit: Moisture Sensitive
• Schmelzpunkt (°C): 66 °C
• Molekulargewicht: 203.540 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 202.973 Da
• Monoisotopic Mass: 202.973 Da
• Topological Polar Surface Area: 105.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 225.000
• 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