2-Bromo-5′-fluoro-2′-methoxyacetophenone - ≥97% , CAS No.343-04-4

CAS: 343-04-4 Cat. No.: B169724 분자식: C₉H₈BrFO₂ 분자량: 247.06 EC 번호: 803-519-8

GRADE & PURITY ≥97%

Synonyms

2-bromo-1-(5-fluoro-2-methoxyphenyl)ethan-1-one | a-Bromo-5'-fluoro-2'-methoxyacetophenone | MFCD03425169 | 2-bromo-1-(5-fluoro-2-methoxyphenyl)ethanone | 2-Bromo-1-(5-fluoro-2-methoxy-phenyl)ethanone | 2-bromo-1-(5-fluoro-2-methoxy-phenyl)-ethanone | A90

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

동의어

2-bromo-1-(5-fluoro-2-methoxyphenyl)ethan-1-one | a-Bromo-5'-fluoro-2'-methoxyacetophenone | MFCD03425169 | 2-bromo-1-(5-fluoro-2-methoxyphenyl)ethanone | 2-Bromo-1-(5-fluoro-2-methoxy-phenyl)ethanone | 2-bromo-1-(5-fluoro-2-methoxy-phenyl)-ethanone | A90

사양 및 순도

≥97%

보관 조건

Room temperature,Argon charged

배송

Normal

순수함

≥97%

이름과 식별자

• Pubchem Sid: 488193046
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488193046
• 정식 스마일: COC1=C(C=C(C=C1)F)C(=O)CBr
• IUPAC Name: 2-bromo-1-(5-fluoro-2-methoxyphenyl)ethanone
• InChIKey: BHVKAQAGKAZQDP-UHFFFAOYSA-N
• INCHI: 1S/C9H8BrFO2/c1-13-9-3-2-6(11)4-7(9)8(12)5-10/h2-4H,5H2,1H3
• 이성체 SMILES: COC1=C(C=C(C=C1)F)C(=O)CBr
• WGK 독일: 3
• 분자량: 247.06
• Reaxy-Rn: 3251820
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3251820&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: Phenoxy compounds Methoxybenzenes Benzoyl derivatives Aryl alkyl ketones Anisoles Fluorobenzenes Alkyl aryl ethers Aryl fluorides Alpha-haloketones Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Aryl alkyl ketone - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Alpha-haloketone - Ether - Hydrocarbon derivative - Alkyl halide - Alkyl bromide - Organic oxide - Organofluoride - Organohalogen compound - Organobromide - 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

• 감도: Moisture sensitive
• 녹는점(°C): 75-80 °C
• 분자량: 247.060 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 245.969 Da
• Monoisotopic Mass: 245.969 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 186.000
• 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 ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 343-04-4, the molecular formula is C9H8BrFO2, and the molecular weight is 247.06 g/mol. InChIKey BHVKAQAGKAZQDP-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.