2,6-ジフルオロベンゾフェノン - ≥98% , CAS No.59189-51-4

CAS: 59189-51-4 Cat. No.: D111815 分子式: C₁₃H₈F₂O 分子量: 218.2 EC番号: 261-650-0

GRADE & PURITY ≥98%

Synonyms

2,6-ジフルオロベンゾフェノン|59189-51-4|(2,6-ジフルオロフェニル)(フェニル)メタノン|(2,6-ジフルオロフェニル)-フェニルメタノン|メタノン, (2、6-difluorophenyl)phenyl-|E47625TKQ5|EINECS 261-650-0|UNII-E47625TKQ5|SCHEMBL1420986|DTXSID70207928|KTRGJHDNHIPMEY-UHFFFAOYSA-N|Met

Storage

Room temperature

Shipped In

ノーマル

Specifications

同義語

2,6-ジフルオロベンゾフェノン | 59189-51-4 | (2,6-ジフルオロフェニル)(フェニル)メタノン | (2,6-ジフルオロフェニル)-フェニルメタノン | メタノン, (2、6-difluorophenyl)phenyl- | E47625TKQ5 | EINECS 261-650-0 | UNII-E47625TKQ5 | SCHEMBL1420986 | DTXSID70207928 | KTRGJHDNHIPMEY-UHFFFAOYSA-N | Met

仕様と純度

≥98%

保管条件

Room temperature

入荷

ノーマル

純度

≥98%

名前と識別子

• パブケム・シド: 488187227
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488187227
• カノニカル・スマイル: C1=CC=C(C=C1)C(=O)C2=C(C=CC=C2F)F
• IUPAC Name: (2,6-difluorophenyl)-phenylmethanone
• InChIKey: KTRGJHDNHIPMEY-UHFFFAOYSA-N
• INCHI: 1S/C13H8F2O/c14-10-7-4-8-11(15)12(10)13(16)9-5-2-1-3-6-9/h1-8H
• 異性体SMILES: C1=CC=C(C=C1)C(=O)C2=C(C=CC=C2F)F
• 分子量: 218.2
• Reaxy-Rn: 2266589
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2266589&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Benzoyl derivatives Fluorobenzenes Aryl fluorides Vinylogous halides Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Aryl-phenylketone - Diphenylmethane - Benzoyl - Aryl ketone - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Vinylogous halide - Ketone - Organohalogen compound - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• 説明: 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

化学的性質と物理的性質

• 屈折率: 1.5645
• 沸点（°C）: 120°C
• 分子量: 218.200 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 218.054 Da
• Monoisotopic Mass: 218.054 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 238.000
• 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