3,4-Difluorobenzophenone - ≥98% , CAS No.85118-07-6

CAS: 85118-07-6 Cat. No.: D111816 分子式: C₁₃H₈F₂O 分子量: 218.2 EC番号: 285-659-4

グレード＆純度 ≥98%

Synonyms

(3,4-Difluorophenyl)(phenyl)methanone|Amino-(tetrahydropyran-4-yl)aceticacidmethylester|(3,4-Difluorophenyl)(phenyl)methanone #|3,4-Difluorobenzophenone|3,4-difluorophenyl phenyl ketone|(3,4-Difluorophenyl)phenylmethanone|(3,4-difluorophenyl)-phenylmethanone|Methanone, (3,4-difluorophenyl)phenyl-

Storage

Room temperature

Shipped In

Normal

仕様

同義語

(3,4-Difluorophenyl)(phenyl)methanone | Amino-(tetrahydropyran-4-yl)aceticacidmethylester | (3,4-Difluorophenyl)(phenyl)methanone # | 3,4-Difluorobenzophenone | 3,4-difluorophenyl phenyl ketone | (3,4-Difluorophenyl)phenylmethanone | (3,4-difluorophenyl)-phenylmethanone | Methanone, (3,4-difluorophenyl)phenyl-

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

488190354

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488190354

カノニカル・スマイル

C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)F)F

IUPAC Name

(3,4-difluorophenyl)-phenylmethanone

InChIKey

ZJTYHSBOZAQQGF-UHFFFAOYSA-N

INCHI

1S/C13H8F2O/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h1-8H

異性体SMILES

C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)F)F

WGKドイツ

3

分子量

218.2

Reaxy-Rn

7808356

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7808356&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 Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Diphenylmethane - Aryl-phenylketone - Benzoyl - Aryl ketone - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Ketone - Organooxygen compound - Organofluoride - Organohalogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - 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

• 引火点（°F）: >110℃
• 引火点（°C）: >110℃
• 融点（°C）: 55-57°C
• 分子量: 218.200 g/mol
• XLogP3: 3.700
• 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: 248.000
• 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

よくある質問

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 85118-07-6, the molecular formula is C13H8F2O, and the molecular weight is 218.2 g/mol. InChIKey ZJTYHSBOZAQQGF-UHFFFAOYSA-N.

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.

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.