ácido 2-(3-clorofenil)benzoico - ≥96% , CAS No.73178-79-7

CAS: 73178-79-7 Cat. No.: C186301 Fórmula: C₁₃H₉ClO₂ Peso molecular: 232.7 Número CE: 672-471-6

GRADE & PURITY ≥96%

Synonyms

2-Biphenyl-3'-chloro-carboxylicacid | AM20041091 | BB 0222500 | 2-(3-chlorophenyl)benzoic Acid | AKOS004117434 | XOBLGZILIGYWAM-UHFFFAOYSA-N | MFCD03426500 | [1,1'-Biphenyl]-2-carboxylicacid, 3'-chloro- | DTXSID00373887 | SCHEMBL269867 | 2-(3-Chlorophenyl

Storage

Temperatura ambiente

Shipped In

Normal

Specifications

Sinónimos

2-Biphenyl-3'-chloro-carboxylicacid | AM20041091 | BB 0222500 | 2-(3-chlorophenyl)benzoic Acid | AKOS004117434 | XOBLGZILIGYWAM-UHFFFAOYSA-N | MFCD03426500 | [1,1'-Biphenyl]-2-carboxylicacid, 3'-chloro- | DTXSID00373887 | SCHEMBL269867 | 2-(3-Chlorophenyl

Especificações e pureza

≥96%

Condições de armazenamento de armazenamento

Temperatura ambiente

Enviado em

Normal

Pureza

≥96%

Nomes e identificadores

Sorrisos canónicos

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

IUPAC Name

2-(3-chlorophenyl)benzoic acid

InChIKey

XOBLGZILIGYWAM-UHFFFAOYSA-N

INCHI

1S/C13H9ClO2/c14-10-5-3-4-9(8-10)11-6-1-2-7-12(11)13(15)16/h1-8H,(H,15,16)

SMILES isoméricas

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

Peso molecular

232.7

Reaxy-Rn

2616075

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2616075&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: Chlorinated biphenyls
• Alternative Parents: Benzoic acids Benzoyl derivatives Chlorobenzenes Aryl chlorides Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Chlorinated biphenyl - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as chlorinated biphenyls. These are organic compounds containing at least one chlorine atom attached to either benzene ring of the biphenyl moiety.
• 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

Propriedades químicas e físicas

• Peso molecular: 232.660 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 232.029 Da
• Monoisotopic Mass: 232.029 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 254.000
• 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