4-Bromo-4'-nitrobiphenyl - ≥98% , CAS No.6242-98-4

CAS: 6242-98-4 Cat. No.: B185626 Fórmula: C₁₂H₈BrNO₂ Peso molecular: 278.1

GRADE & PURITY ≥98%

Synonyms

A868473 | NSC 32424 | SCHEMBL2329450 | AMY7346 | C75934 | FT-0636038 | MFCD00024697 | BS-17306 | NSC32424 | NSC-32424 | 4-bromo-4'-nitrobiphenyl | 4-BROMO-4'-NITRO-BIPHENYL | 4-(4-bromophenyl)nitrobenzene | AKOS003598540 | DTXSID70283606 | 1-(4-bromopheny

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

A868473 | NSC 32424 | SCHEMBL2329450 | AMY7346 | C75934 | FT-0636038 | MFCD00024697 | BS-17306 | NSC32424 | NSC-32424 | 4-bromo-4'-nitrobiphenyl | 4-BROMO-4'-NITRO-BIPHENYL | 4-(4-bromophenyl)nitrobenzene | AKOS003598540 | DTXSID70283606 | 1-(4-bromopheny

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Sonrisas canónicas

C1=CC(=CC=C1C2=CC=C(C=C2)Br)[N+](=O)[O-]

IUPAC Name

1-(4-bromophenyl)-4-nitrobenzene

InChIKey

LNYRWXNUGZFNIE-UHFFFAOYSA-N

INCHI

1S/C12H8BrNO2/c13-11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(15)16/h1-8H

Isómeros SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)Br)[N+](=O)[O-]

Peso molecular

278.1

Reaxy-Rn

2107950

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2107950&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Brominated biphenyls
• Alternative Parents: Nitrobenzenes Nitroaromatic compounds Bromobenzenes Aryl bromides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Brominated biphenyl - Nitrobenzene - Nitroaromatic compound - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as brominated biphenyls. These are organic compounds containing a biphenyl moiety substituted at one or more positions by a bromine atom.
• 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: 278.100 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 276.974 Da
• Monoisotopic Mass: 276.974 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 238.000
• 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