Methyl 3,4-Dichlorophenylacetate - ≥98%(GC) , CAS No.6725-44-6

CAS: 6725-44-6 Cat. No.: M158171 Formule: C₉H₈Cl₂O₂ Poids moléculaire: 219.06 Numéro CE: 676-776-5

GRADE & PURITY ≥98%(GC)

Synonyms

Benzeneacetic acid, 3,4-dichloro-, methyl ester | A835680 | PS-3180 | 3,4 dichlorophenyl acetic acid methyl ester | SCHEMBL298044 | FT-0652711 | FWVOAIHAIWHHDM-UHFFFAOYSA-N | 2-(3,4-dichlorophenyl)acetic acid methyl ester | MFCD00800680 | (3,4-dichlorophe

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

Benzeneacetic acid, 3,4-dichloro-, methyl ester | A835680 | PS-3180 | 3,4 dichlorophenyl acetic acid methyl ester | SCHEMBL298044 | FT-0652711 | FWVOAIHAIWHHDM-UHFFFAOYSA-N | 2-(3,4-dichlorophenyl)acetic acid methyl ester | MFCD00800680 | (3,4-dichlorophe

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

• Pubchem Sid: 488191783
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191783
• Sourires canoniques: COC(=O)CC1=CC(=C(C=C1)Cl)Cl
• IUPAC Name: methyl 2-(3,4-dichlorophenyl)acetate
• InChIKey: FWVOAIHAIWHHDM-UHFFFAOYSA-N
• INCHI: 1S/C9H8Cl2O2/c1-13-9(12)5-6-2-3-7(10)8(11)4-6/h2-4H,5H2,1H3
• Isomères SMILES: COC(=O)CC1=CC(=C(C=C1)Cl)Cl
• Poids moléculaire: 219.06
• Reaxy-Rn: 7005718
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7005718&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Indice de réfraction: 1.54
• Point d'éclair (°C): 113 °C
• Point de fusion (°C): 27-30°C
• Poids moléculaire: 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

Foire aux questions

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

This product is supplied at ≥98% 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 6725-44-6, the molecular formula is C9H8Cl2O2, and the molecular weight is 219.06 g/mol. InChIKey FWVOAIHAIWHHDM-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.