2,4-Dichlorophenylacetone - ≥98% , CAS No.93457-07-9

CAS: 93457-07-9 Cat. No.: D154232 Fórmula: C₉H₈Cl₂O Peso molecular: 203.06

GRADE & PURITY ≥98%

Synonyms

FT-0690596 | ghl.PD_Mitscher_leg0.657 | AKOS010015544 | D90132 | 1-(2,4-dichlorophenyl)-2-propanone | PHYSODICACID | A916212 | D2928 | DTXSID10370125 | ITVVHXZQWSCZBC-UHFFFAOYSA-N | AS-58493 | SCHEMBL157921 | 1-(2,4-dichlorophenyl)-propan-2-one | 1-(2,4-d

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

FT-0690596 | ghl.PD_Mitscher_leg0.657 | AKOS010015544 | D90132 | 1-(2,4-dichlorophenyl)-2-propanone | PHYSODICACID | A916212 | D2928 | DTXSID10370125 | ITVVHXZQWSCZBC-UHFFFAOYSA-N | AS-58493 | SCHEMBL157921 | 1-(2,4-dichlorophenyl)-propan-2-one | 1-(2,4-d

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

• Sorrisos canónicos: CC(=O)CC1=C(C=C(C=C1)Cl)Cl
• IUPAC Name: 1-(2,4-dichlorophenyl)propan-2-one
• InChIKey: ITVVHXZQWSCZBC-UHFFFAOYSA-N
• INCHI: 1S/C9H8Cl2O/c1-6(12)4-7-2-3-8(10)5-9(7)11/h2-3,5H,4H2,1H3
• SMILES isoméricas: CC(=O)CC1=C(C=C(C=C1)Cl)Cl
• Peso molecular: 203.06
• Reaxy-Rn: 1943492
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1943492&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylpropanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanes
• Alternative Parents: Dichlorobenzenes Aryl chlorides Ketones Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropane - 1,3-dichlorobenzene - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane 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

• Solubilidade: Soluble in Methanol
• Ponto de fusão (°C): 49 °C
• Peso molecular: 203.060 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 201.995 Da
• Monoisotopic Mass: 201.995 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 170.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 93457-07-9, the molecular formula is C9H8Cl2O, and the molecular weight is 203.06 g/mol. InChIKey ITVVHXZQWSCZBC-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.