2-Chloro-3-iodo-5-nitropyridine - ≥97% , CAS No.25391-60-0

CAS: 25391-60-0 Cat. No.: C469004 Molecular Weight: 284.43 EC Number: 686-941-3

GRADE & PURITY ≥97%

Synonyms

A877598 | AKOS022173397 | SY115947 | SCHEMBL1663370 | 2-Chloro-3-iodo-5-nitropyridine | 2-chloro-3-iodo-5-nitro-pyridine | H10923 | DTXSID40456729 | MFCD12028701 | AM86808 | Pyridine, 2-chloro-3-iodo-5-nitro- | KUMMEUQAQSZVOD-UHFFFAOYSA-N | 2-Chloro-3-iod

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonyms

A877598 | AKOS022173397 | SY115947 | SCHEMBL1663370 | 2-Chloro-3-iodo-5-nitropyridine | 2-chloro-3-iodo-5-nitro-pyridine | H10923 | DTXSID40456729 | MFCD12028701 | AM86808 | Pyridine, 2-chloro-3-iodo-5-nitro- | KUMMEUQAQSZVOD-UHFFFAOYSA-N | 2-Chloro-3-iod

Specifications & Purity

≥97%

Storage

Protected from light, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488197214
• Canonical Smiles: C1=C(C=NC(=C1I)Cl)[N+](=O)[O-]
• IUPAC Name: 2-chloro-3-iodo-5-nitropyridine
• InChIKey: KUMMEUQAQSZVOD-UHFFFAOYSA-N
• INCHI: 1S/C5H2ClIN2O2/c6-5-4(7)1-3(2-8-5)9(10)11/h1-2H
• Isomeric SMILES: C1=C(C=NC(=C1I)Cl)[N+](=O)[O-]
• Molecular Weight: 284.43
• Reaxy-Rn: 9120011
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9120011&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic 1,3-dipolar compounds
    • Class Allyl-type 1,3-dipolar organic compounds
      • Subclass Organic nitro compounds
        • Level5 C-nitro compounds
          • Level6 Nitroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organic 1,3-dipolar compounds
• Class: Allyl-type 1,3-dipolar organic compounds
• Subclass: Organic nitro compounds
• Intermediate Tree Nodes: C-nitro compounds
• Direct Parent: Nitroaromatic compounds
• Alternative Parents: Polyhalopyridines 2-halopyridines Aryl iodides Aryl chlorides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitroaromatic compound - Polyhalopyridine - 2-halopyridine - Aryl chloride - Aryl halide - Aryl iodide - Pyridine - Heteroaromatic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Organic oxide - Organonitrogen compound - Organoiodide - Organochloride - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteromonocyclic compound
• Description: 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

Chemical and Physical Properties

• Sensitivity: light sensitive
• Melt Point(°C): 102-106 °C
• Molecular Weight: 284.440 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 283.885 Da
• Monoisotopic Mass: 283.885 Da
• Topological Polar Surface Area: 58.700 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 163.000
• 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