4'-Nitrobiphenyl-4-carboxaldehyde - ≥98% , CAS No.98648-23-8

CAS: 98648-23-8 Cat. No.: N159726 Peso molecular: 227.22 Número EC: 808-162-1

GRADE & PURITY ≥98%

Synonyms

MGHIIGWDUVNPPV-UHFFFAOYSA-N | 4'-Nitro-[1,1'-biphenyl]-4-carbaldehyde | 4'-Nitro[1,1'-biphenyl]-4-carbaldehyde | 4-nitro[1,1-biphenyl]-4-carbaldehyde | 4'-Nitro-[1,1'-biphenyl]-4-carboxaldehyde | J-515856 | SCHEMBL1580201 | AMY33182 | FT-0617964 | 4'-Nitr

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

MGHIIGWDUVNPPV-UHFFFAOYSA-N | 4'-Nitro-[1, 1'-biphenyl]-4-carbaldehyde | 4'-Nitro[1, 1'-biphenyl]-4-carbaldehyde | 4-nitro[1, 1-biphenyl]-4-carbaldehyde | 4'-Nitro-[1, 1'-biphenyl]-4-carboxaldehyde | J-515856 | SCHEMBL1580201 | AMY33182 | FT-0617964 | 4'-Nitr

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488193367
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488193367
• Sonrisas canónicas: C1=CC(=CC=C1C=O)C2=CC=C(C=C2)[N+](=O)[O-]
• IUPAC Name: 4-(4-nitrophenyl)benzaldehyde
• InChIKey: MGHIIGWDUVNPPV-UHFFFAOYSA-N
• INCHI: 1S/C13H9NO3/c15-9-10-1-3-11(4-2-10)12-5-7-13(8-6-12)14(16)17/h1-9H
• Isómeros SMILES: C1=CC(=CC=C1C=O)C2=CC=C(C=C2)[N+](=O)[O-]
• Peso molecular: 227.22
• Reaxy-Rn: 3287037
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3287037&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: Biphenyls and derivatives
• Alternative Parents: Nitrobenzenes Nitroaromatic compounds Benzoyl derivatives Benzaldehydes Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Nitrobenzene - Benzaldehyde - Nitroaromatic compound - Benzoyl - Aryl-aldehyde - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Aldehyde - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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

• Sensibilidad: Air Sensitive
• Punto de fusión (°C): 128 °C
• Peso molecular: 227.210 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 227.058 Da
• Monoisotopic Mass: 227.058 Da
• Topological Polar Surface Area: 62.900 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 271.000
• 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