4-bromo-3-chloro-5-nitropyridine - ≥97% , CAS No.1072141-30-0

CAS: 1072141-30-0 Cat. No.: B171899 Peso molecular: 237.44 Número EC: 189-441-9

GRADE & PURITY ≥97%

Synonyms

SCHEMBL15770940 | AKOS015835090 | EN300-201064 | PB14866 | DTXSID70670113 | 4-Bromo-3-chloro-5-nitropyridine, AldrichCPR | FT-0733098 | BFEIQRUZMAVRGH-UHFFFAOYSA-N | AS-33811 | 1072141-30-0 | MFCD11052835 | A895671 | 4-Bromo-3-chloro-5-nitropyridine | 4-b

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

SCHEMBL15770940 | AKOS015835090 | EN300-201064 | PB14866 | DTXSID70670113 | 4-Bromo-3-chloro-5-nitropyridine, AldrichCPR | FT-0733098 | BFEIQRUZMAVRGH-UHFFFAOYSA-N | AS-33811 | 1072141-30-0 | MFCD11052835 | A895671 | 4-Bromo-3-chloro-5-nitropyridine | 4-b

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488201170
• Sonrisas canónicas: C1=C(C(=C(C=N1)Cl)Br)[N+](=O)[O-]
• IUPAC Name: 4-bromo-3-chloro-5-nitropyridine
• InChIKey: BFEIQRUZMAVRGH-UHFFFAOYSA-N
• INCHI: 1S/C5H2BrClN2O2/c6-5-3(7)1-8-2-4(5)9(10)11/h1-2H
• Isómeros SMILES: C1=C(C(=C(C=N1)Cl)Br)[N+](=O)[O-]
• Peso molecular: 237.44
• Reaxy-Rn: 38073671
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=38073671&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: Polyhalopyridines Aryl chlorides Aryl bromides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organobromides Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitroaromatic compound - Polyhalopyridine - Aryl bromide - Aryl chloride - Aryl halide - Pyridine - Heteroaromatic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Organic nitrogen compound - Organic salt - Organic oxygen compound - Organic oxide - Organic cation - 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

Propiedades químicas y físicas

• Peso molecular: 237.440 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 235.899 Da
• Monoisotopic Mass: 235.899 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