2,6-Dichlorophenylacetic Acid Methyl Ester - ≥98%(GC) , CAS No.54551-83-6

CAS: 54551-83-6 Cat. No.: D133906 Summenformel: C₉H₈Cl₂O₂ Molekulargewicht: 219.06 EG-Nummer: 259-221-8

GRADE & PURITY ≥98%(GC)

Synonyms

2,6-Dichlorophenylacetic Acid Methyl Ester | 2,6-dichloro-phenylacetic acid methyl ester | SCHEMBL3743731 | Benzeneacetic acid, 2,6-dichloro-, methyl ester | 2,6-Dichloro-benzeneacetic Acid Methyl Ester | (2,6-dichlorophenyl)acetic acid methyl ester | SY0

Storage

Room temperature

Shipped In

Normal

Übersicht

An intermediate in the preparation of Guanfacine.

Specifications

Synonyme

2,6-Dichlorophenylacetic Acid Methyl Ester | 2,6-dichloro-phenylacetic acid methyl ester | SCHEMBL3743731 | Benzeneacetic acid, 2,6-dichloro-, methyl ester | 2,6-Dichloro-benzeneacetic Acid Methyl Ester | (2,6-dichlorophenyl)acetic acid methyl ester | SY0

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

• Pubchem Sid: 504761068
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761068
• Kanonisches Lächeln: COC(=O)CC1=C(C=CC=C1Cl)Cl
• IUPAC Name: methyl 2-(2,6-dichlorophenyl)acetate
• InChIKey: FCWRUYPZZJPCCG-UHFFFAOYSA-N
• INCHI: 1S/C9H8Cl2O2/c1-13-9(12)5-6-7(10)3-2-4-8(6)11/h2-4H,5H2,1H3
• Isomere SMILES: COC(=O)CC1=C(C=CC=C1Cl)Cl
• Molekulargewicht: 219.06
• Reaxy-Rn: 1963478
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1963478&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: 1,3-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
• 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

• 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: 174.000
• 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

Häufig gestellte Fragen

How should this product be stored?

Store at room temperature.

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 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 54551-83-6, the molecular formula is C9H8Cl2O2, and the molecular weight is 219.06 g/mol. InChIKey FCWRUYPZZJPCCG-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.