4'-Fluoro-2'-hydroxyacetophenone - ≥98% , CAS No.1481-27-2

CAS: 1481-27-2 Cat. No.: F123259 분자식: FC₆H₃(OH)COCH₃ 분자량: 154.14 Beilstein Registry Number: 2249799 EC 번호: 604-626-0

등급 & 순도 ≥98%

Synonyms

4'-fluoro-2'hydroxyacetophenone | 4'-Fluoro-2'-hydroxyacetophenone | 4-Fluoro-2-hydroxyacetophenone | 4'-Fluoro-2'-hydroxyacetophenone, 98% | (2-hydroxy-4-fluoro phenyl)-1-ethanone | 2'-Hydroxy-4'-fluorophenyl methyl ketone | 4'-Flouro-2'-hydroxyacetophen

Storage

Room temperature

Shipped In

Normal

개요

Used recently in the preparation of medicinally active benzo[b]furans and thiophenes.

application：

4′-Fluoro-2′-hydroxyacetophenone may be used in the preparation of series of 4′-fluoro-2′-hydroxychalcones, via aldol condensation with substituted aldehydes followed by cyclization with hydrazine hydrate.

사양

동의어

4'-fluoro-2'hydroxyacetophenone | 4'-Fluoro-2'-hydroxyacetophenone | 4-Fluoro-2-hydroxyacetophenone | 4'-Fluoro-2'-hydroxyacetophenone, 98% | (2-hydroxy-4-fluoro phenyl)-1-ethanone | 2'-Hydroxy-4'-fluorophenyl methyl ketone | 4'-Flouro-2'-hydroxyacetophen

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

488192881

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488192881

정식 스마일

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

IUPAC Name

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

InChIKey

HLTBTUXAMVOKIH-UHFFFAOYSA-N

INCHI

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

이성체 SMILES

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

WGK 독일

3

분자량

154.14

Beilstein

2249799

Reaxy-Rn

2249799

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2249799&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-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Vinylogous acids Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetophenone - Aryl alkyl ketone - Benzoyl - 3-fluorophenol - 3-halophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - 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

• 발화점(°F): 210.2 °F
• 발화점(°C): 98°(208°F)
• 끓는점(°C): 65°C/2mm
• 녹는점(°C): 29-34°C
• 분자량: 154.140 g/mol
• XLogP3: 2.100
• 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?

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 1481-27-2, the molecular formula is C8H7FO2, and the molecular weight is 154.14 g/mol. InChIKey HLTBTUXAMVOKIH-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.