5-Chloro-2-hydroxy-4-methylbenzophenone - ≥98% , CAS No.68751-90-6

CAS: 68751-90-6 Cat. No.: C153853 Fórmula: C₁₄H₁₁ClO₂ Peso molecular: 246.69 Número CE: 272-140-2

GRADE & PURITY ≥98%

Synonyms

(5-chloranyl-4-methyl-2-oxidanyl-phenyl)-phenyl-methanone | AKOS015889623 | (5-Chloro-2-hydroxy-4-methylphenyl)(phenyl)methanone # | InChI=1/C14H11ClO2/c1-9-7-13(16)11(8-12(9)15)14(17)10-5-3-2-4-6-10/h2-8,16H,1H | 5-Chloro-2-hydroxy-4-methylbenzophenone |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

(5-chloranyl-4-methyl-2-oxidanyl-phenyl)-phenyl-methanone | AKOS015889623 | (5-Chloro-2-hydroxy-4-methylphenyl)(phenyl)methanone # | InChI=1/C14H11ClO2/c1-9-7-13(16)11(8-12(9)15)14(17)10-5-3-2-4-6-10/h2-8,16H,1H | 5-Chloro-2-hydroxy-4-methylbenzophenone |

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504759246

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504759246

Sorrisos canónicos

CC1=CC(=C(C=C1Cl)C(=O)C2=CC=CC=C2)O

IUPAC Name

(5-chloro-2-hydroxy-4-methylphenyl)-phenylmethanone

InChIKey

IOGQACQRFGDUPT-UHFFFAOYSA-N

INCHI

1S/C14H11ClO2/c1-9-7-13(16)11(8-12(9)15)14(17)10-5-3-2-4-6-10/h2-8,16H,1H3

SMILES isoméricas

CC1=CC(=C(C=C1Cl)C(=O)C2=CC=CC=C2)O

Peso molecular

246.69

Reaxy-Rn

1971300

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1971300&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones P-chlorophenols Meta cresols Benzoyl derivatives Toluenes Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Vinylogous acids Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Aryl-phenylketone - Diphenylmethane - Benzoyl - Aryl ketone - 4-chlorophenol - M-cresol - 4-halophenol - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Phenol - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous acid - Ketone - Organohalogen compound - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• 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

• Ponto de fusão (°C): 138-144℃
• Peso molecular: 246.690 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 246.045 Da
• Monoisotopic Mass: 246.045 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 273.000
• 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