2',4'-Dichlorovalerophenone - ≥95%(GC) , CAS No.61023-66-3

CAS: 61023-66-3 Cat. No.: D135652 분자식: C₁₁H₁₂Cl₂O 분자량: 231.12

GRADE & PURITY ≥95%(GC)

Synonyms

DTXSID40450944 | D3366 | AM20040848 | 2',4'-Dichloropentanophenone | D90180 | 2',4'-Dichlorovalerophenone | XVWXSWROOLWNCJ-UHFFFAOYSA-N | AKOS010522894 | 1-(2,4-dichloro-phenyl)-pentan-1-one | 1-(2,4-dichlorophenyl)pentan-1-one | AS-61750 | FT-0654440 | M

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

DTXSID40450944 | D3366 | AM20040848 | 2',4'-Dichloropentanophenone | D90180 | 2',4'-Dichlorovalerophenone | XVWXSWROOLWNCJ-UHFFFAOYSA-N | AKOS010522894 | 1-(2,4-dichloro-phenyl)-pentan-1-one | 1-(2,4-dichlorophenyl)pentan-1-one | AS-61750 | FT-0654440 | M

사양 및 순도

≥95%(GC)

보관 조건

Room temperature

배송

Normal

순수함

≥95%(GC)

이름과 식별자

• Pubchem Sid: 488197026
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197026
• 정식 스마일: CCCCC(=O)C1=C(C=C(C=C1)Cl)Cl
• IUPAC Name: 1-(2,4-dichlorophenyl)pentan-1-one
• InChIKey: XVWXSWROOLWNCJ-UHFFFAOYSA-N
• INCHI: 1S/C11H12Cl2O/c1-2-3-4-11(14)9-6-5-8(12)7-10(9)13/h5-7H,2-4H2,1H3
• 이성체 SMILES: CCCCC(=O)C1=C(C=C(C=C1)Cl)Cl
• 분자량: 231.12
• Reaxy-Rn: 1946161
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1946161&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Butyrophenones Dichlorobenzenes Benzoyl derivatives Aryl alkyl ketones Aryl chlorides Vinylogous halides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Butyrophenone - Benzoyl - 1,3-dichlorobenzene - Aryl alkyl ketone - Halobenzene - Chlorobenzene - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Vinylogous halide - Organochloride - Organohalogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 설명: 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

화학 및 물리적 특성

• 굴절률: 1.54
• 발화점(°C): 124 °C
• 분자량: 231.110 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 230.027 Da
• Monoisotopic Mass: 230.027 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 194.000
• 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

자주 묻는 질문

What is the purity of this product, and how is it determined?

This product is supplied at ≥95% purity, determined by gas chromatography (GC). 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 61023-66-3, the molecular formula is C11H12Cl2O, and the molecular weight is 231.12 g/mol. InChIKey XVWXSWROOLWNCJ-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.