2-Chloro-3-nitropyridine - ≥99%(HPLC) , CAS No.5470-18-8

CAS: 5470-18-8 Cat. No.: C113583 Fórmula: C₅H₃ClN₂O₂ Peso molecular: 158.54 Beilstein Registry Number: 124482 Número EC: 226-799-8

CALIDAD & PUREZA ≥99%(HPLC)

Synonyms

PELTATIN A | A7944 | W-203064 | A822259 | F0001-1442 | AKOS000120582 | SCHEMBL75026 | NSC26279 | NSC-26279 | SB36737 | NSC 26279 | CYCLOBUTANE-1,2-DICARBONYLDICHLORIDE | 2-chloranyl-3-nitro-pyridine | Pyridine, 2-chloro-3-nitro- | EINECS 226-799-8 | FT-06

Storage

Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

PELTATIN A | A7944 | W-203064 | A822259 | F0001-1442 | AKOS000120582 | SCHEMBL75026 | NSC26279 | NSC-26279 | SB36737 | NSC 26279 | CYCLOBUTANE-1,2-DICARBONYLDICHLORIDE | 2-chloranyl-3-nitro-pyridine | Pyridine, 2-chloro-3-nitro- | EINECS 226-799-8 | FT-06

Especificaciones y pureza

≥99%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99%(HPLC)

Nombres e identificadores

Pubchem Sid

488185753

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185753

Sonrisas canónicas

C1=CC(=C(N=C1)Cl)[N+](=O)[O-]

IUPAC Name

2-chloro-3-nitropyridine

InChIKey

UUOLETYDNTVQDY-UHFFFAOYSA-N

INCHI

1S/C5H3ClN2O2/c6-5-4(8(9)10)2-1-3-7-5/h1-3H

Isómeros SMILES

C1=CC(=C(N=C1)Cl)[N+](=O)[O-]

WGK Alemania

3

Número ONU

2811

Peso molecular

158.54

Beilstein

124482

Reaxy-Rn

124482

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=124482&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic 1,3-dipolar compounds
    • Clase 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
• Clase: 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
• Descripción: 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Insoluble in water
• Índice de refracción: 1.454-1.456
• Punto de inflamación (°F): 365 °F
• Punto de inflamación (°C): 185 °C
• Punto de fusión (°C): 100-103°C
• Peso molecular: 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

Preguntas frecuentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥99% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 5470-18-8, the molecular formula is C5H3ClN2O2, and the molecular weight is 158.54 g/mol. InChIKey UUOLETYDNTVQDY-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.