Sorbic chloride , CAS No.2614-88-2

CAS: 2614-88-2 Cat. No.: S342561 分子式: C₆H₇ClO 分子量: 130.57 EC番号: 626-416-8 PubChem CID: 5368941

Synonyms

Sorbicchloride | 2,4-Hexadienoyl chloride, (2E,4E)- | EN300-624317 | J-016281 | (2E,4E)-hexa-2,4-dienoyl chloride | Sorbic chloride | Sorboyl chloride | (2E,4E)-2,4-Hexadienoyl chloride # | (E,E)-2,4-Hexadienoyl chloride | SCHEMBL2297852 | rans,trans-2,4-

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

Sorbicchloride | 2,4-Hexadienoyl chloride, (2E,4E)- | EN300-624317 | J-016281 | (2E,4E)-hexa-2,4-dienoyl chloride | Sorbic chloride | Sorboyl chloride | (2E,4E)-2,4-Hexadienoyl chloride # | (E,E)-2,4-Hexadienoyl chloride | SCHEMBL2297852 | rans,trans-2,4-

保管条件

Room temperature

入荷

Normal

名前と識別子

• カノニカル・スマイル: CC=CC=CC(=O)Cl
• IUPAC Name: (2E,4E)-hexa-2,4-dienoyl chloride
• InChIKey: GRTWTVFDPBKQNU-MQQKCMAXSA-N
• INCHI: 1S/C6H7ClO/c1-2-3-4-5-6(7)8/h2-5H,1H3/b3-2+,5-4+
• 異性体SMILES: C/C=C/C=C/C(=O)Cl
• WGKドイツ: 3
• PubChem CID: 5368941
• 分子量: 130.57

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

• 分子量: 130.570 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 130.019 Da
• Monoisotopic Mass: 130.019 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 124.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1