2-Methoxyacetophenone - ≥95% , CAS No.4079-52-1

CAS: 4079-52-1 Cat. No.: M467277 분자식: C₉H₁₀O₂ 분자량: 150.17 EC 번호: 223-802-4

GRADE & PURITY ≥95%

Synonyms

A76745 | YRNDGUSDBCARGC-UHFFFAOYSA-N | AI3-07623 | 4-Hydroxy-17-methyltestosterone | methoxyacetophenone | Q27123417 | .omega.-Methoxyacetophenone | 2-methoxy acetophenone | Ethanone, 2-methoxy-1-phenyl- | 2-Methoxyacetophenone, 95% | alpha-Methoxyacetoph

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

동의어

A76745 | YRNDGUSDBCARGC-UHFFFAOYSA-N | AI3-07623 | 4-Hydroxy-17-methyltestosterone | methoxyacetophenone | Q27123417 | .omega.-Methoxyacetophenone | 2-methoxy acetophenone | Ethanone, 2-methoxy-1-phenyl- | 2-Methoxyacetophenone, 95% | alpha-Methoxyacetoph

사양 및 순도

≥95%

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥95%

이름과 식별자

• Pubchem Sid: 528757445
• 정식 스마일: COCC(=O)C1=CC=CC=C1
• IUPAC Name: 2-methoxy-1-phenylethanone
• InChIKey: YRNDGUSDBCARGC-UHFFFAOYSA-N
• INCHI: 1S/C9H10O2/c1-11-7-9(10)8-5-3-2-4-6-8/h2-6H,7H2,1H3
• 이성체 SMILES: COCC(=O)C1=CC=CC=C1
• WGK 독일: 3
• 분자량: 150.17
• Reaxy-Rn: 2043579
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2043579&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: Benzoyl derivatives Aryl alkyl ketones Dialkyl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Aryl alkyl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - Ether - Dialkyl ether - Organic oxide - Hydrocarbon derivative - 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: aromatic ketone - alpha-oxyketone

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

• 굴절률: 1.5365
• 발화점(°F): 215.6 °F
• 발화점(°C): 102 °C
• 끓는점(°C): 122-123 °C
• 녹는점(°C): 7-8 °C
• 분자량: 150.170 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 150.068 Da
• Monoisotopic Mass: 150.068 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 126.000
• 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

참고 문헌

1. Bing Xia, Yuanji Gao, Baocheng Ji, Fengwei Ma, Lisheng Ding, Yan Zhou.  (2018)  Analysis of Compounds Dissolved in Nonpolar Solvents by Electrospray Ionization on Conductive Nanomaterials.  JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY,      [PMID:29372550] [10.1007/s13361-017-1873-y]