5-Chloro-2-nitropyridine - ≥97% , CAS No.52092-47-4

CAS: 52092-47-4 Cat. No.: N134993 Fórmula: C₅H₃ClN₂O₂ Peso molecular: 158.54 Número CE: 639-354-1

GRADE & PURITY ≥97%

Synonyms

Pyridine, 5-chloro-2-nitro- | Z104475594 | MFCD03092916 | SCHEMBL851644 | 3-Chloro-6-nitropyridine | Ribociclib Intermediates | AM20070239 | J-517330 | EN300-08929 | 5-Chloro-2-nitropyridine | 5-Chloro-2-nitro-pyridine | 2-Nitro-5-chloropyridine | 5-chlor

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

Pyridine, 5-chloro-2-nitro- | Z104475594 | MFCD03092916 | SCHEMBL851644 | 3-Chloro-6-nitropyridine | Ribociclib Intermediates | AM20070239 | J-517330 | EN300-08929 | 5-Chloro-2-nitropyridine | 5-Chloro-2-nitro-pyridine | 2-Nitro-5-chloropyridine | 5-chlor

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

504758180

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758180

Sorrisos canónicos

C1=CC(=NC=C1Cl)[N+](=O)[O-]

IUPAC Name

5-chloro-2-nitropyridine

InChIKey

YUBHMOQVHOODEI-UHFFFAOYSA-N

INCHI

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

SMILES isoméricas

C1=CC(=NC=C1Cl)[N+](=O)[O-]

WGK Alemanha

2

CAS alternativo

52092-47-4

Número NSC

90388

Peso molecular

158.54

Reaxy-Rn

120440

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=120440&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic 1,3-dipolar compounds
    • Classe 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
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Sensibilidade: Heat sensitive
• Ponto de fusão (°C): 120-123℃
• 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

Perguntas frequentes

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 52092-47-4, the molecular formula is C5H3ClN2O2, and the molecular weight is 158.54 g/mol. InChIKey YUBHMOQVHOODEI-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.