2',6'-Difluoroacetophenone - ≥98% , CAS No.13670-99-0

CAS: 13670-99-0 Cat. No.: D122010 분자식: F₂C₆H₃COCH₃ 분자량: 156.13 Beilstein Registry Number: 2046068 EC 번호: 237-151-9

등급 & 순도 ≥98%

Synonyms

MFCD00010692 | 1-(2,6-Difluorophenyl)ethan-1-one | STL301827 | 1-(2,6-Difluorophenyl)ethanone | 1-(2,6-Difluoro-phenyl)-ethanone | 1-(2,6-Difluorophenyl)ethanone # | SY001308 | D3559 | Z90122597 | AC-2459 | 2',6'-Difluoroacetophenone | 2,6-Difluoroacetoph

Storage

Room temperature

Shipped In

Normal

개요

description：

2′,6′-Difluoroacetophenone undergoes ruthenium-catalyzed phenylation with phenylboronate via carbon-fluorine bond cleavage to yield 2′,6′-diphenylacetophenone.

application：

2′,6′-Difluoroacetophenone was used in the synthesis of 2-amino-4-alkyl- and 2-amino-4-arylquinazolines.

사양

동의어

MFCD00010692 | 1-(2,6-Difluorophenyl)ethan-1-one | STL301827 | 1-(2,6-Difluorophenyl)ethanone | 1-(2,6-Difluoro-phenyl)-ethanone | 1-(2,6-Difluorophenyl)ethanone # | SY001308 | D3559 | Z90122597 | AC-2459 | 2',6'-Difluoroacetophenone | 2,6-Difluoroacetoph

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

504755690

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755690

정식 스마일

CC(=O)C1=C(C=CC=C1F)F

IUPAC Name

1-(2,6-difluorophenyl)ethanone

InChIKey

VGIIILXIQLXVLC-UHFFFAOYSA-N

INCHI

1S/C8H6F2O/c1-5(11)8-6(9)3-2-4-7(8)10/h2-4H,1H3

이성체 SMILES

CC(=O)C1=C(C=CC=C1F)F

WGK 독일

3

분자량

156.13

Beilstein

2046068

Reaxy-Rn

2046068

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2046068&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: Acetophenones Benzoyl derivatives Aryl alkyl ketones Fluorobenzenes Aryl fluorides Vinylogous halides Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetophenone - Aryl alkyl ketone - Benzoyl - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Vinylogous halide - Organofluoride - Organic oxide - Hydrocarbon derivative - Organohalogen compound - 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

• 용해성: Slightly soluble in water.
• 굴절률: 1.481
• 발화점(°F): 170.6 °F
• 발화점(°C): 76°C
• 끓는점(°C): 79°C/15mmHg
• 분자량: 156.130 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 156.039 Da
• Monoisotopic Mass: 156.039 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 148.000
• 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?

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 13670-99-0, the molecular formula is C8H6F2O, and the molecular weight is 156.13 g/mol. InChIKey VGIIILXIQLXVLC-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.