3,3'-Difluoro-[1,1'-biphenyl]-4,4'-dicarboxylic acid - ≥97% , CAS No.1261929-07-0

CAS: 1261929-07-0 Cat. No.: C180868 Peso molecular: 278.2

GRADE & PURITY ≥97%

Synonyms

BS-20225 | 1261929-07-0 | DTXSID50690930 | MFCD18321501 | F87048 | 3,3'-Difluoro-[1,1'-biphenyl]-4,4'-dicarboxylicacid | [1,1'-Biphenyl]-4,4'-dicarboxylic acid, 3,3'-difluoro- | 4-(4-CARBOXY-3-FLUOROPHENYL)-2-FLUOROBENZOIC ACID | YSWG056 | AKOS015888572 |

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

BS-20225 | 1261929-07-0 | DTXSID50690930 | MFCD18321501 | F87048 | 3, 3'-Difluoro-[1, 1'-biphenyl]-4, 4'-dicarboxylicacid | [1, 1'-Biphenyl]-4, 4'-dicarboxylic acid, 3, 3'-difluoro- | 4-(4-CARBOXY-3-FLUOROPHENYL)-2-FLUOROBENZOIC ACID | YSWG056 | AKOS015888572 |

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: 504771103
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771103
• Sonrisas canónicas: C1=CC(=C(C=C1C2=CC(=C(C=C2)C(=O)O)F)F)C(=O)O
• IUPAC Name: 4-(4-carboxy-3-fluorophenyl)-2-fluorobenzoic acid
• InChIKey: PSAXGLIYDQKPDK-UHFFFAOYSA-N
• INCHI: 1S/C14H8F2O4/c15-11-5-7(1-3-9(11)13(17)18)8-2-4-10(14(19)20)12(16)6-8/h1-6H,(H,17,18)(H,19,20)
• Isómeros SMILES: C1=CC(=C(C=C1C2=CC(=C(C=C2)C(=O)O)F)F)C(=O)O
• Peso molecular: 278.2
• Reaxy-Rn: 23681773
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23681773&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: Halobenzoic acids 2-halobenzoic acids Benzoic acids Benzoyl derivatives 1-carboxy-2-haloaromatic compounds Fluorobenzenes Aryl fluorides Vinylogous halides Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - 2-halobenzoic acid or derivatives - Halobenzoic acid - 2-halobenzoic acid - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - Benzoyl - 1-carboxy-2-haloaromatic compound - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Vinylogous halide - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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

• Peso molecular: 278.210 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 278.039 Da
• Monoisotopic Mass: 278.039 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 351.000
• 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