2-Chloro-4'-Phenylacetophenone - ≥95% , CAS No.635-84-7

CAS: 635-84-7 Cat. No.: C113577 분자식: C₁₄H₁₁ClO 분자량: 230.69 EC 번호: 679-591-8

GRADE & PURITY ≥95%

Synonyms

1-([1,1'-biphenyl]-4-yl)-2-chloroethanone | 1-([1,1-Biphenyl]-4-yl)-2-chloroethanone | 1-([1,1'-biphenyl]-4-yl)-2-chloroethan-1-one | omega-chloroparaphenyl-acetophenone | Ethanone, 1-[1,1'-biphenyl]-4-yl-2-chloro- | 4-Chloroacetylbiphenyl | AS-64998 | FT

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

1-([1,1'-biphenyl]-4-yl)-2-chloroethanone | 1-([1,1-Biphenyl]-4-yl)-2-chloroethanone | 1-([1,1'-biphenyl]-4-yl)-2-chloroethan-1-one | omega-chloroparaphenyl-acetophenone | Ethanone, 1-[1,1'-biphenyl]-4-yl-2-chloro- | 4-Chloroacetylbiphenyl | AS-64998 | FT

사양 및 순도

≥95%

보관 조건

Room temperature

배송

Normal

순수함

≥95%

이름과 식별자

• Pubchem Sid: 504754396
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754396
• 정식 스마일: C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CCl
• IUPAC Name: 2-chloro-1-(4-phenylphenyl)ethanone
• InChIKey: IQEIGQFNDLINOT-UHFFFAOYSA-N
• INCHI: 1S/C14H11ClO/c15-10-14(16)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2
• 이성체 SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CCl
• UN 번호: 2811
• 분자량: 230.69
• Reaxy-Rn: 1241565
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1241565&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: Biphenyls and derivatives Benzoyl derivatives Aryl alkyl ketones Alpha-chloroketones Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Biphenyl - Aryl alkyl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - Alpha-haloketone - Alpha-chloroketone - Organic oxide - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - 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

• 녹는점(°C): 126°C
• 분자량: 230.690 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 230.05 Da
• Monoisotopic Mass: 230.05 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 225.000
• 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