4-Methylvaleryl Chloride - ≥98% , CAS No.38136-29-7

CAS: 38136-29-7 Cat. No.: M158759 Summenformel: C₆H₁₁ClO Molekulargewicht: 134.60 EG-Nummer: 253-801-4

GRADE & PURITY ≥98%

Synonyms

EINECS 253-801-4 | EN300-69079 | M2287 | BS-23268 | DTXSID0068072 | 4-Methylvaleryl chloride | Isocaproyl chloride | AMY33518 | FT-0639435 | SVWCVXFHTHCJJB-UHFFFAOYSA-N | 4-Methylvaleroyl Chloride | gamma-methylvaleroyl chloride | 4-methylpentanoyl chlori

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyme

EINECS 253-801-4 | EN300-69079 | M2287 | BS-23268 | DTXSID0068072 | 4-Methylvaleryl chloride | Isocaproyl chloride | AMY33518 | FT-0639435 | SVWCVXFHTHCJJB-UHFFFAOYSA-N | 4-Methylvaleroyl Chloride | gamma-methylvaleroyl chloride | 4-methylpentanoyl chlori

Spezifikationen & Reinheit

≥98%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

508809660

Kanonisches Lächeln

CC(C)CCC(=O)Cl

IUPAC Name

4-methylpentanoyl chloride

InChIKey

SVWCVXFHTHCJJB-UHFFFAOYSA-N

INCHI

1S/C6H11ClO/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3

Isomere SMILES

CC(C)CCC(=O)Cl

Molekulargewicht

134.60

Reaxy-Rn

1741913

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1741913&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

• Empfindlichkeit: Moisture Sensitive
• Brechungsindex: 1.42
• Flammpunkt (°C): 41 °C
• Siedepunkt (°C): 144°C(lit.)
• Molekulargewicht: 134.600 g/mol
• XLogP3: 2.400
• 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: 78.600
• 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