2-Propylvaleryl Chloride - ≥99%(GC) , CAS No.2936-08-5

CAS: 2936-08-5 Cat. No.: P160116 Molecular Weight: 162.66 EC Number: 220-914-5 PubChem CID: 76240

GRADE & PURITY ≥99%(GC)

Synonyms

LS-13484 | di-n-propylacetyl chloride | Homocresol | Pentanoyl chloride, 2-propyl- | Bicyclo[4.3.0]nona-3,7-diene | dipropyl acetic acid chloride | 2-n-Propyl-n-valeroyl chloride | P0824 | 2-Propylvaleryl chloride | MFCD00051446 | 2,2-di-n-Propylacetyl ch

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

LS-13484 | di-n-propylacetyl chloride | Homocresol | Pentanoyl chloride, 2-propyl- | Bicyclo[4.3.0]nona-3, 7-diene | dipropyl acetic acid chloride | 2-n-Propyl-n-valeroyl chloride | P0824 | 2-Propylvaleryl chloride | MFCD00051446 | 2, 2-di-n-Propylacetyl ch

Specifications & Purity

≥99%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥99%(GC)

Names and Identifiers

• Pubchem Sid: 488185231
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185231
• Canonical Smiles: CCCC(CCC)C(=O)Cl
• IUPAC Name: 2-propylpentanoyl chloride
• InChIKey: PITHYUDHKJKJNQ-UHFFFAOYSA-N
• INCHI: 1S/C8H15ClO/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3
• Isomeric SMILES: CCCC(CCC)C(=O)Cl
• PubChem CID: 76240
• Molecular Weight: 162.66
• Reaxy-Rn: 1098856

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Reacts with water.
• Sensitivity: Moisture sensitive
• Refractive Index: 1.43
• Flash Point(°C): 67 °C
• Boil Point(°C): 132°C
• Molecular Weight: 162.660 g/mol
• XLogP3: 3.700
• 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: 95.400
• 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