Biphenyl-4-carboxamide - ≥96% , CAS No.3815-20-1

CAS: 3815-20-1 Cat. No.: B170033 Formula: C₁₃H₁₁NO Peso molecolare: 197.23 Numero EC: 636-804-9

GRADE & PURITY ≥96%

Synonyms

SR-01000513189 | A824028 | EN300-71599 | MFCD00017573 | DTXSID10345196 | STK696161 | (1,1'-Biphenyl)-4-carboxamide | 4-biphenyl formamide | 4-Biphenylcarboxamide | E78172 | SCHEMBL8259381 | SR-01000513189-1 | biphenyl-4-carboxamide | VDJ7W7WH7L | Biphenyl

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

SR-01000513189 | A824028 | EN300-71599 | MFCD00017573 | DTXSID10345196 | STK696161 | (1,1'-Biphenyl)-4-carboxamide | 4-biphenyl formamide | 4-Biphenylcarboxamide | E78172 | SCHEMBL8259381 | SR-01000513189-1 | biphenyl-4-carboxamide | VDJ7W7WH7L | Biphenyl

Specifiche e purezza

≥96%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥96%

Nomi e identificatori

Pubchem Sid

488190639

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488190639

Sorrisi canonici

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)N

IUPAC Name

4-phenylbenzamide

InChIKey

LUQVCHRDAGWYMG-UHFFFAOYSA-N

INCHI

1S/C13H11NO/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,14,15)

Isomeri SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)N

WGK Germania

3

Peso molecolare

197.23

Reaxy-Rn

2614166

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2614166&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Benzamides Benzoyl derivatives Primary carboxylic acid amides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Benzoic acid or derivatives - Benzamide - Benzoyl - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Punto di fusione (°C): 227-229°C
• Peso molecolare: 197.230 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 197.084 Da
• Monoisotopic Mass: 197.084 Da
• Topological Polar Surface Area: 43.100 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 213.000
• 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