2-Cyano-4-nitropyridine - ≥98% , CAS No.19235-88-2

CAS: 19235-88-2 Cat. No.: C107969 Summenformel: C₆H₃N₃O₂ Molekulargewicht: 149.11 EG-Nummer: 627-503-3

GRADE & PURITY ≥98%

Synonyms

BCP26322 | SB52360 | AKOS015833829 | J-400297 | 2-Cyano-4-nitropyridine | 4-Nitro-2-pyridinecarbonitrile | AS-30089 | Z1255457805 | SY005881 | 4-Nitro-2-pyridinecarbonitrile, 97% | EN300-123800 | SCHEMBL354916 | A4246 | AKOS025148708 | AKOS015967460 | AMY

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

BCP26322 | SB52360 | AKOS015833829 | J-400297 | 2-Cyano-4-nitropyridine | 4-Nitro-2-pyridinecarbonitrile | AS-30089 | Z1255457805 | SY005881 | 4-Nitro-2-pyridinecarbonitrile, 97% | EN300-123800 | SCHEMBL354916 | A4246 | AKOS025148708 | AKOS015967460 | AMY

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504759295
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759295
• Kanonisches Lächeln: C1=CN=C(C=C1[N+](=O)[O-])C#N
• IUPAC Name: 4-nitropyridine-2-carbonitrile
• InChIKey: ONDDYTHSSNTDLR-UHFFFAOYSA-N
• INCHI: 1S/C6H3N3O2/c7-4-5-3-6(9(10)11)1-2-8-5/h1-3H
• Isomere SMILES: C1=CN=C(C=C1[N+](=O)[O-])C#N
• WGK Deutschland: 3
• UN-Nummer: 2811
• Molekulargewicht: 149.11
• Reaxy-Rn: 472856
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=472856&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 Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitroaromatic compound - Pyridine - Heteroaromatic compound - Carbonitrile - Nitrile - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - 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): 70-74°C
• Molekulargewicht: 149.110 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 149.023 Da
• Monoisotopic Mass: 149.023 Da
• Topological Polar Surface Area: 82.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 202.000
• 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 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 19235-88-2, the molecular formula is C6H3N3O2, and the molecular weight is 149.11 g/mol. InChIKey ONDDYTHSSNTDLR-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.