Ethyl 4-Chlorobutyrate - ≥98%(GC) , CAS No.3153-36-4

CAS: 3153-36-4 Cat. No.: E135072 分子式: C₆H₁₁ClO₂ 分子量: 150.6 Beilstein Registry Number: 2278 EC番号: 221-591-3

GRADE & PURITY ≥98%(GC)

Synonyms

D89301 | SCHEMBL1364893 | MFCD00001004 | OPXNFHAILOHHFO-UHFFFAOYSA- | FT-0618201 | Butyric acid, 4-chloro-, ethyl ester | Ethyl gamma-chlorobutyrate | Ethyl-4-chlorobutyrate | FT-0668199 | 4-Chlorobutyric Acid Ethyl Ester | 4-chloro-butyric acid ethyl est

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

同義語

D89301 | SCHEMBL1364893 | MFCD00001004 | OPXNFHAILOHHFO-UHFFFAOYSA- | FT-0618201 | Butyric acid, 4-chloro-, ethyl ester | Ethyl gamma-chlorobutyrate | Ethyl-4-chlorobutyrate | FT-0668199 | 4-Chlorobutyric Acid Ethyl Ester | 4-chloro-butyric acid ethyl est

仕様と純度

≥98%(GC)

保管条件

Room temperature

入荷

FedEx DG Service

純度

≥98%(GC)

名前と識別子

• パブケム・シド: 488182477
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488182477
• カノニカル・スマイル: CCOC(=O)CCCCl
• IUPAC Name: ethyl 4-chlorobutanoate
• InChIKey: OPXNFHAILOHHFO-UHFFFAOYSA-N
• INCHI: 1S/C6H11ClO2/c1-2-9-6(8)4-3-5-7/h2-5H2,1H3
• 異性体SMILES: CCOC(=O)CCCCl
• WGKドイツ: 3
• 分子量: 150.6
• Beilstein: 2278
• Reaxy-Rn: 1098810
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098810&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 分類 Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid 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 - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• 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

• 溶解度: Insoluble in water.
• 屈折率: 1.432
• 引火点（°F）: 169°F
• 引火点（°C）: 76℃
• 沸点（°C）: 185-186℃
• 分子量: 150.600 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 150.045 Da
• Monoisotopic Mass: 150.045 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 83.100
• 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 ≥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 is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

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

The CAS Number is 3153-36-4, the molecular formula is C6H11ClO2, and the molecular weight is 150.6 g/mol. InChIKey OPXNFHAILOHHFO-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.