Methyl 2,3-Dichlorophenylacetate - ≥98% , CAS No.10328-87-7

CAS: 10328-87-7 Cat. No.: M294126 Summenformel: C₉H₈Cl₂O₂ Molekulargewicht: 219.065

GRADE & PURITY ≥98%

Synonyms

AS-31338 | METHYL 2,3-DICHLOROPHENYLACETATE | A896550 | AKOS015888179 | Benzeneacetic acid, 2,3-dichloro-, methyl ester | DTXSID90370486 | FT-0742736 | methyl 2-(2,3-dichlorophenyl)acetate | SY003616 | MFCD04112743 | SCHEMBL1626544

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonyme

AS-31338 | METHYL 2,3-DICHLOROPHENYLACETATE | A896550 | AKOS015888179 | Benzeneacetic acid, 2,3-dichloro-, methyl ester | DTXSID90370486 | FT-0742736 | methyl 2-(2,3-dichlorophenyl)acetate | SY003616 | MFCD04112743 | SCHEMBL1626544

Spezifikationen & Reinheit

≥98%

Storage

Room temperature,Desiccated

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504761194
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761194
• Kanonisches Lächeln: COC(=O)CC1=C(C(=CC=C1)Cl)Cl
• IUPAC Name: methyl 2-(2,3-dichlorophenyl)acetate
• InChIKey: XUMYFVFSYKMRDF-UHFFFAOYSA-N
• INCHI: 1S/C9H8Cl2O2/c1-13-8(12)5-6-3-2-4-7(10)9(6)11/h2-4H,5H2,1H3
• Isomere SMILES: COC(=O)CC1=C(C(=CC=C1)Cl)Cl
• Molekulargewicht: 219.065
• Reaxy-Rn: 1874101
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1874101&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Ebene5 Chlorobenzenes
          • Ebene6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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: 1,2-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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.542-1.544
• Flammpunkt (°C): 112.8ºC
• Siedepunkt (°C): 274.5ºC at 760 mmHg
• Molekulargewicht: 219.060 g/mol
• XLogP3: 3.000
• 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