3',5'-Dichloro-2'-hydroxyacetophenone - ≥98% , CAS No.3321-92-4

CAS: 3321-92-4 Cat. No.: D154375 Fórmula: C₈H₆Cl₂O₂ Peso molecular: 205.03 Número CE: 628-184-3

GRAU & PUREZA ≥98%

Synonyms

MFCD00016417 | AKOS000112355 | Biphenyl,4,4-dicyclohexyl- | 3',5'-Dichloro-2'-hydroxyacetophenone, 99% | (4''R)-22-O-(3-AMINO-2,3,6-TRIDEOXY-3-C-METHYL-.ALPHA.-L-ARABINO-HEXOPYRANOSYL)-N(SUP 3)''-(P-(P-CHLOROPHENYL)BENZYL)VANCOMYCIN | STR03381 | 1-(3,5-di

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

MFCD00016417 | AKOS000112355 | Biphenyl,4,4-dicyclohexyl- | 3',5'-Dichloro-2'-hydroxyacetophenone, 99% | (4''R)-22-O-(3-AMINO-2,3,6-TRIDEOXY-3-C-METHYL-.ALPHA.-L-ARABINO-HEXOPYRANOSYL)-N(SUP 3)''-(P-(P-CHLOROPHENYL)BENZYL)VANCOMYCIN | STR03381 | 1-(3,5-di

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

528757769

Sorrisos canónicos

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

IUPAC Name

1-(3,5-dichloro-2-hydroxyphenyl)ethanone

InChIKey

CJFYGRLJDKWMDI-UHFFFAOYSA-N

INCHI

1S/C8H6Cl2O2/c1-4(11)6-2-5(9)3-7(10)8(6)12/h2-3,12H,1H3

SMILES isoméricas

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

Peso molecular

205.03

Reaxy-Rn

1638099

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1638099&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Acetophenones P-chlorophenols O-chlorophenols Dichlorobenzenes Benzoyl derivatives Aryl alkyl ketones Aryl chlorides Vinylogous acids Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetophenone - Benzoyl - 1,3-dichlorobenzene - 4-halophenol - 2-halophenol - 2-chlorophenol - 4-chlorophenol - Aryl alkyl ketone - Halobenzene - Phenol - Chlorobenzene - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Benzenoid - Vinylogous acid - Organohalogen compound - Organochloride - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• 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

• Solubilidade: Soluble in Acetone
• Ponto de ebulição (°C): 134°C/18mmHg(lit.)
• Ponto de fusão (°C): 94-97 °C
• Peso molecular: 205.030 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 203.974 Da
• Monoisotopic Mass: 203.974 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 184.000
• 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