Methyl 2,4-Dichlorophenylacetate - ≥99%(GC) , CAS No.55954-23-9

CAS: 55954-23-9 Cat. No.: M158169 分子式: C₉H₈Cl₂O₂ 分子量: 219.06 EC番号: 611-334-7

GRADE & PURITY ≥99%(GC)

Synonyms

AS-12649 | DCAA methyl ester | AKOS015849924 | methyl 2-(2,4-dichlorophenyl)acetate | O11846 | Benzeneacetic acid, 2,4-dichloro-, methyl ester; 2,4-Dichlorophenylacetic acid methyl ester; 2-(2,4-Dichlorophenyl)acetic acid methyl ester; Methyl (2,4-dichlor

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

AS-12649 | DCAA methyl ester | AKOS015849924 | methyl 2-(2,4-dichlorophenyl)acetate | O11846 | Benzeneacetic acid, 2,4-dichloro-, methyl ester; 2,4-Dichlorophenylacetic acid methyl ester; 2-(2,4-Dichlorophenyl)acetic acid methyl ester; Methyl (2,4-dichlor

仕様と純度

≥99%(GC)

保管条件

Room temperature

入荷

Normal

純度

≥99%(GC)

名前と識別子

• パブケム・シド: 488192485
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488192485
• カノニカル・スマイル: COC(=O)CC1=C(C=C(C=C1)Cl)Cl
• IUPAC Name: methyl 2-(2,4-dichlorophenyl)acetate
• InChIKey: SRCVNBFTEARRJY-UHFFFAOYSA-N
• INCHI: 1S/C9H8Cl2O2/c1-13-9(12)4-6-2-3-7(10)5-8(6)11/h2-3,5H,4H2,1H3
• 異性体SMILES: COC(=O)CC1=C(C=C(C=C1)Cl)Cl
• 分子量: 219.06
• Reaxy-Rn: 1958515
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1958515&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Aryl chlorides Methyl esters Monocarboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,3-dichlorobenzene - Aryl halide - Aryl chloride - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• 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

• 屈折率: 1.54
• 引火点（°C）: 112 °C
• 沸点（°C）: 153°C/27mmHg(lit.)
• 分子量: 219.060 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 217.99 Da
• Monoisotopic Mass: 217.99 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 184.000
• 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

よくある質問

What is the purity of this product, and how is it determined?

This product is supplied at ≥99% purity, determined by gas chromatography (GC). 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 55954-23-9, the molecular formula is C9H8Cl2O2, and the molecular weight is 219.06 g/mol. InChIKey SRCVNBFTEARRJY-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.