2'-Fluoro-4'-hydroxyacetophenone - ≥98%(GC) , CAS No.98619-07-9

CAS: 98619-07-9 Cat. No.: F124233 분자식: C₈H₇FO₂ 분자량: 154.14 Beilstein Registry Number: 696642 EC 번호: 619-366-3

등급 & 순도 ≥98%(GC)

Synonyms

FT-0610912 | Ethanone, 1-(2-fluoro-4-hydroxyphenyl)- | 4'-Hydroxy-2'-fluoroacetophenone | 4-Hydroxy-2-fluoroacetophenone | 1-(2-fluoro-4-hydroxyphenyl)-1-ethanone | AC-8955 | 2-Fluoro-4-hydroxy acetophenone | 2'-Fluoro-4'-hydroxyacetophenone | 2'-Fluoro-4

Storage

Room temperature

Shipped In

Normal

개요

Application：

2'-Fluoro-4'-hydroxyacetophenone is used in used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff

사양

동의어

FT-0610912 | Ethanone, 1-(2-fluoro-4-hydroxyphenyl)- | 4'-Hydroxy-2'-fluoroacetophenone | 4-Hydroxy-2-fluoroacetophenone | 1-(2-fluoro-4-hydroxyphenyl)-1-ethanone | AC-8955 | 2-Fluoro-4-hydroxy acetophenone | 2'-Fluoro-4'-hydroxyacetophenone | 2'-Fluoro-4

사양 및 순도

≥98%(GC)

보관 조건

Room temperature

배송

Normal

순수함

≥98%(GC)

이름과 식별자

Pubchem Sid

488192322

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488192322

정식 스마일

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

IUPAC Name

1-(2-fluoro-4-hydroxyphenyl)ethanone

InChIKey

ZCZIRBNZMFUCOH-UHFFFAOYSA-N

INCHI

1S/C8H7FO2/c1-5(10)7-3-2-6(11)4-8(7)9/h2-4,11H,1H3

이성체 SMILES

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

분자량

154.14

Beilstein

696642

Reaxy-Rn

6966442

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6966442&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 M-fluorophenols Benzoyl derivatives Aryl alkyl ketones Fluorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Vinylogous halides Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetophenone - Aryl alkyl ketone - Benzoyl - 3-fluorophenol - 3-halophenol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - 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

관련 대상(비인간)

Pseudomonas aeruginosa (123386 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 용해성: Insoluble in water.
• 녹는점(°C): 121-123°C
• 분자량: 154.140 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 154.043 Da
• Monoisotopic Mass: 154.043 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 158.000
• 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 ≥98% 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 98619-07-9, the molecular formula is C8H7FO2, and the molecular weight is 154.14 g/mol. InChIKey ZCZIRBNZMFUCOH-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.