Ethyl 2-(3,4-dichlorophenyl)acetate - ≥97% , CAS No.6725-45-7

CAS: 6725-45-7 Cat. No.: E589843 분자식: C₁₀H₁₀Cl₂O₂ 분자량: 233.10

등급 & 순도 ≥97%

Synonyms

3,4-Dichlorophenyl butyrate|Benzeneacetic acid,3,4-dichloro-,ethyl ester|Ethyl 3,4-Dichlorophenyl acetate|3,4-dichlorophenylacetic acid ethyl ester|Ethyl 3,4-dichlorophenylacetate|(3,4-dichloro-phenyl)-acetic acid ethyl ester|ethyl 2-(3,4-dichlorophenyl)acetate

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

개요

Ethyl 3,4-dichlorophenylacetate, is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.

사양

동의어

3,4-Dichlorophenyl butyrate | Benzeneacetic acid,3,4-dichloro-,ethyl ester | Ethyl 3,4-Dichlorophenyl acetate | 3,4-dichlorophenylacetic acid ethyl ester | Ethyl 3,4-dichlorophenylacetate | (3,4-dichloro-phenyl)-acetic acid ethyl ester | ethyl 2-(3,4-dichlorophenyl)acetate

사양 및 순도

≥97%

보관 조건

Store at 2-8°C,Desiccated

배송

Wet ice

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순수함

≥97%

이름과 식별자

정식 스마일

CCOC(=O)CC1=CC(=C(C=C1)Cl)Cl

IUPAC Name

ethyl 2-(3,4-dichlorophenyl)acetate

InChIKey

QAEBVJIVEPSFRK-UHFFFAOYSA-N

INCHI

1S/C10H10Cl2O2/c1-2-14-10(13)6-7-3-4-8(11)9(12)5-7/h3-5H,2,6H2,1H3

이성체 SMILES

CCOC(=O)CC1=CC(=C(C=C1)Cl)Cl

분자량

233.10

Reaxy-Rn

1212053

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1212053&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Aryl chlorides Carboxylic acid 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 - 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
• 설명: 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

화학 및 물리적 특성

• 용해성: Insoluble in water.
• 녹는점(°C): 24-26℃
• 분자량: 233.090 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 232.006 Da
• Monoisotopic Mass: 232.006 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 197.000
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 6725-45-7, the molecular formula is C10H10Cl2O2, and the molecular weight is 233.10 g/mol. InChIKey QAEBVJIVEPSFRK-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.