2-Ethylhexanoyl chloride - ≥97% , CAS No.760-67-8

CAS: 760-67-8 Cat. No.: E139249 分子式: C₈H₁₅ClO 分子量: 162.66 EC番号: 212-081-1

GRADE & PURITY ≥97%

Synonyms

2-(3-thienyl)acetonitrile | 2-Ethylhexanoyl chloride | InChI=1/C8H15ClO/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3 | 2-Ethyl Capronyl Chloride | 2-Ethylhexanoic acid, chloride | 2-ethylhexanoylchloride | 2-Ethyl-hexanoylchloride | 2-Ethylhexanoic acid chloride

Storage

Argon charged,Room temperature

Shipped In

Normal

概要

2-Ethylhexanoyl chloride was used in the preparation of 4-aza-6-ethyl-4-(2-ethylhexanoyloxy)-5-oxodecyl 2,3, 4,6-tetra-O-acetyl-l-thio-β-D glucopyranoside. It was also used in the preparation of poly(4,8-bis-alkyloxybenzo(1,2-b:4,5-b′)dithiophene-2,6-diyl-alt-(alkyl thieno(3,4-b)thiophene-2-carboxylate)-2,6-diyl), having very promising photovoltaic properties.

Specifications

同義語

2-(3-thienyl)acetonitrile | 2-Ethylhexanoyl chloride | InChI=1/C8H15ClO/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3 | 2-Ethyl Capronyl Chloride | 2-Ethylhexanoic acid, chloride | 2-ethylhexanoylchloride | 2-Ethyl-hexanoylchloride | 2-Ethylhexanoic acid chloride

仕様と純度

≥97%

保管条件

Argon charged,Room temperature

入荷

Normal

純度

≥97%

名前と識別子

• パブケム・シド: 508808013
• カノニカル・スマイル: CCCCC(CC)C(=O)Cl
• IUPAC Name: 2-ethylhexanoyl chloride
• InChIKey: WFSGQBNCVASPMW-UHFFFAOYSA-N
• INCHI: 1S/C8H15ClO/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3
• 異性体SMILES: CCCCC(CC)C(=O)Cl
• WGKドイツ: 1
• RTECS: MP4525000
• UN番号: 3265
• 包装グループ: III
• 分子量: 162.66
• Reaxy-Rn: 956601
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=956601&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • 分類 Acyl halides
      • Subclass Acyl chlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• 分類: Acyl halides
• Subclass: Acyl chlorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Acyl chlorides
• Alternative Parents: Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Carbonyl group - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as acyl chlorides. These are organic compounds containing the functional group -CO-Cl.
• 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: Reacts with water.soluble in acetone
• 感度: Moisture sensitive
• 屈折率: 1.433
• 引火点（°F）: 174°F
• 引火点（°C）: 79°C
• 沸点（°C）: 67-68 °C/11 mmHg
• 分子量: 162.660 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 162.081 Da
• Monoisotopic Mass: 162.081 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 101.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1