3′-Iodo-4′-methoxyacetophenone - ≥97% , CAS No.79324-77-9

CAS: 79324-77-9 Cat. No.: I469690 分子式: CH₃OC₆H₃ICOCH₃ 分子量: 276.07 EC番号: 624-139-7

GRADE & PURITY ≥97%

Synonyms

E82606 | YDTWTLOLPFLZHX-UHFFFAOYSA-N | DTXSID40451850 | 1-(3-iodo-4-methoxyphenyl)ethanone | EN300-6763256 | 3'-Iodo-4'-methoxyacetophenone, 97% | FT-0641714 | SCHEMBL7943307 | MFCD02258873 | 1-(3-iodo-4-methoxyphenyl)ethan-1-one | 3'-Iodo-4'-methoxyaceto

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

同義語

E82606 | YDTWTLOLPFLZHX-UHFFFAOYSA-N | DTXSID40451850 | 1-(3-iodo-4-methoxyphenyl)ethanone | EN300-6763256 | 3'-Iodo-4'-methoxyacetophenone, 97% | FT-0641714 | SCHEMBL7943307 | MFCD02258873 | 1-(3-iodo-4-methoxyphenyl)ethan-1-one | 3'-Iodo-4'-methoxyaceto

仕様と純度

≥97%

保管条件

Store at 2-8°C,Protected from light

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥97%

名前と識別子

カノニカル・スマイル

CC(=O)C1=CC(=C(C=C1)OC)I

IUPAC Name

1-(3-iodo-4-methoxyphenyl)ethanone

InChIKey

YDTWTLOLPFLZHX-UHFFFAOYSA-N

INCHI

1S/C9H9IO2/c1-6(11)7-3-4-9(12-2)8(10)5-7/h3-5H,1-2H3

異性体SMILES

CC(=O)C1=CC(=C(C=C1)OC)I

WGKドイツ

3

分子量

276.07

Reaxy-Rn

3240031

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3240031&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 分類 Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Acetophenones Phenoxy compounds Methoxybenzenes Benzoyl derivatives Aryl alkyl ketones Anisoles Iodobenzenes Alkyl aryl ethers Aryl iodides Organoiodides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetophenone - Phenoxy compound - Anisole - Methoxybenzene - Aryl alkyl ketone - Benzoyl - Phenol ether - Alkyl aryl ether - Halobenzene - Iodobenzene - Benzenoid - Monocyclic benzene moiety - Aryl iodide - Aryl halide - Ether - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organoiodide - Aromatic homomonocyclic compound
• 説明: 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

化学的性質と物理的性質

• 感度: light sensitive
• 分子量: 276.070 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 275.965 Da
• Monoisotopic Mass: 275.965 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 170.000
• 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