2'-(Trifluoromethyl)-[1,1'-biphenyl]-4-carboxylic acid - ≥95% , CAS No.198205-79-7

CAS: 198205-79-7 Cat. No.: T587959 Peso molecular: 266.22 Número EC: 672-180-4 PubChem CID: 2782714

GRADE & PURITY ≥95%

Synonyms

2'-Trifluoromethyl-biphenyl-4-carboxylic acid | 2'-trifluoromethylbiphenyl-4-carboxylic acid | BB 0222374 | SCHEMBL566127 | 2'-(Trifluoromethyl)-[1,1'-biphenyl]-4-carboxylic acid | 2'-(trifluoromethyl)[1,1'-biphenyl]-4-carboxylic acid | [1,1'-Biphenyl]-4-

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

2'-Trifluoromethyl-biphenyl-4-carboxylic acid | 2'-trifluoromethylbiphenyl-4-carboxylic acid | BB 0222374 | SCHEMBL566127 | 2'-(Trifluoromethyl)-[1, 1'-biphenyl]-4-carboxylic acid | 2'-(trifluoromethyl)[1, 1'-biphenyl]-4-carboxylic acid | [1, 1'-Biphenyl]-4-

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Desiccated

Enviado en

Wet ice

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

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C(=C1)C2=CC=C(C=C2)C(=O)O)C(F)(F)F
• IUPAC Name: 4-[2-(trifluoromethyl)phenyl]benzoic acid
• InChIKey: WQKDEUGMDSTMAK-UHFFFAOYSA-N
• INCHI: 1S/C14H9F3O2/c15-14(16,17)12-4-2-1-3-11(12)9-5-7-10(8-6-9)13(18)19/h1-8H,(H,18,19)
• Isómeros SMILES: C1=CC=C(C(=C1)C2=CC=C(C=C2)C(=O)O)C(F)(F)F
• PubChem CID: 2782714
• Peso molecular: 266.22

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: Trifluoromethylbenzenes Benzoic acids Benzoyl derivatives Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Trifluoromethylbenzene - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Alkyl halide - Alkyl fluoride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - 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

• Peso molecular: 266.210 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 266.055 Da
• Monoisotopic Mass: 266.055 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 319.000
• 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