3-Methylvaleryl chloride - ≥97% , CAS No.51116-72-4

CAS: 51116-72-4 Cat. No.: B301273 Summenformel: C₆H₁₁ClO Molekulargewicht: 134.61 EG-Nummer: 679-300-4

GRADE & PURITY ≥97%

Synonyms

(+)-3-methylpentanoylchloride | SCHEMBL839656 | AKOS006222468 | DTXSID60505627 | 3-METHYLPENTANOYLCHLORIDE | OGMHLZVDKIJTMN-UHFFFAOYSA-N | SY265619 | BCA11672 | 3-Methylvaleryl chloride | beta-methylvaleroyl chloride | 3-Methylpentanoyl Chloride | 3-methy

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

(+)-3-methylpentanoylchloride | SCHEMBL839656 | AKOS006222468 | DTXSID60505627 | 3-METHYLPENTANOYLCHLORIDE | OGMHLZVDKIJTMN-UHFFFAOYSA-N | SY265619 | BCA11672 | 3-Methylvaleryl chloride | beta-methylvaleroyl chloride | 3-Methylpentanoyl Chloride | 3-methy

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Kanonisches Lächeln: CCC(C)CC(=O)Cl
• IUPAC Name: 3-methylpentanoyl chloride
• InChIKey: OGMHLZVDKIJTMN-UHFFFAOYSA-N
• INCHI: 1S/C6H11ClO/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3
• Isomere SMILES: CCC(C)CC(=O)Cl
• Molekulargewicht: 134.61
• Reaxy-Rn: 1720700
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1720700&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Reacts with water.
• Empfindlichkeit: Moisture sensitive
• Brechungsindex: 1.426
• Molekulargewicht: 134.600 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 134.05 Da
• Monoisotopic Mass: 134.05 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 80.600
• 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