Acetophenone - 10mM in DMSO , CAS No.98-86-2

CAS: 98-86-2 Cat. No.: A427211 分子式: C₈H₈O 分子量: 120.15 Beilstein Registry Number: 605842 EC番号: 202-708-7

グレード＆純度 10mM in DMSO

Synonyms

alpha-Acetophenone|1-Phenylethanone (acetophenone)|Benzoylmethide|ACETOPHENONE [FHFI]|acetyl-benzen|Acetylbenzene|Acetyl-Benzene|Ethanone-2,2,2-d3, 1-(phenyl-d5)-|Phenyl methyl ketone|USEPA/OPP Pesticide Code: 129033|Hypnon|USAF EK-496|ACETOPHENONE [INCI]|ACETOPHENONE [II]|RCRA waste no. U004|1-Phenyl-1-ethanone|Phenylethanone|phenylmethylketone|1-Phenylethanone|1-phenyl-ethanone|AC0|Ethanone, 1-phenyl-|methyl-phenyl ketone|Benzene, acetyl-|1-Phenylethanone, 9CI|ACETOPHENONE (II)|Acetophenone-1,2-13C2|1-phenylethan-1-one|ACETOPHENONE|aceto-phenone|ACETOPHENONE [MI]|Methyl phenyl ketone|nchem.180-comp5|Acetophenon|Acetofenon|Acetylbenzol|ACETOPHENONE [HSDB]|Benzoyl methide|Benzoyl methide hypnone|FEMA Number 2009|aceto phenone|Acetofenon [Czech]|Dymex|methylphenylketone|Ketone, methyl phenyl|ACETOPHENONE [FCC]|Methyl phenyl-Ketone|Acetofenona|Acetophenone-alpha-13C|Ethanone,1-phenyl|Acetophenone-methyl-13C

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

仕様

同義語

alpha-Acetophenone | 1-Phenylethanone (acetophenone) | Benzoylmethide | ACETOPHENONE [FHFI] | acetyl-benzen | Acetylbenzene | Acetyl-Benzene | Ethanone-2,2,2-d3, 1-(phenyl-d5)- | Phenyl methyl ketone | USEPA/OPP Pesticide Code: 129033 | Hypnon | USAF EK-496 | ACETOPHENONE [INCI] | ACETOPHENONE [II] | RCRA waste no. U004 | 1-Phenyl-1-ethan もっと見る

仕様と純度

10mM in DMSO

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

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。

名前と識別子

パブケム・シド

528775234

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/528775234

カノニカル・スマイル

CC(=O)C1=CC=CC=C1

IUPAC Name

1-phenylethanone

InChIKey

KWOLFJPFCHCOCG-UHFFFAOYSA-N

INCHI

1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3

異性体SMILES

CC(=O)C1=CC=CC=C1

WGKドイツ

1

RTECS

AM5250000

UN番号

1993

包装グループ

I

分子量

120.15

Beilstein

605842

Reaxy-Rn

605842

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605842&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 Benzoyl derivatives Aryl alkyl ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetophenone - Aryl alkyl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - Organic oxide - Hydrocarbon derivative - 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: an aromatic compound - a methyl-ethyl-ketone

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

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ROCK1 Tclin Rho-associated protein kinase 1 (4723 Activities)

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HepG2 (196354 Activities)

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作用メカニズム

化学的性質と物理的性質

• 感度: Moisture sensitive.
• 融点（°C）: 19 °C
• 屈折率: 1.535
• 引火点（°F）: 179.6 °F
• 引火点（°C）: 82 °C
• 沸点（°C）: 202°C
• 融点（°C）: 20.5°C
• 分子量: 120.150 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 120.058 Da
• Monoisotopic Mass: 120.058 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 101.000
• 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