Chlorure d'hexanoyle - ≥96% , CAS No.142-61-0

CAS: 142-61-0 Cat. No.: H130076 Formule: CH₃(CH₂)₄COCl Poids moléculaire: 134.6 Beilstein Registry Number: 506332 Numéro CE: 205-549-1

GRADE & PURITY ≥96%

Synonyms

Hexanoyl chloride, >=99% | MFCD00000760 | E78920 | hexanoic acid chloride | J-007671 | FT-0627036 | n-Hexanoyl chloride | EINECS 205-549-1 | pentanecarboxylic acid chloride | hexoylchlorid | caproylchloride | hexanoylchloride | Q27280544 | STR00510 | CAPR

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonymes

Hexanoyl chloride, >=99% | MFCD00000760 | E78920 | hexanoic acid chloride | J-007671 | FT-0627036 | n-Hexanoyl chloride | EINECS 205-549-1 | pentanecarboxylic acid chloride | hexoylchlorid | caproylchloride | hexanoylchloride | Q27280544 | STR00510 | CAPR

Spécifications et pureté

≥96%

Conditions de stockage de stockage

Room temperature

Expédié en

FedEx DG Service

Pureté

≥96%

Noms et identifiants

Pubchem Sid

504754150

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754150

Sourires canoniques

CCCCCC(=O)Cl

IUPAC Name

hexanoyl chloride

InChIKey

YWGHUJQYGPDNKT-UHFFFAOYSA-N

INCHI

1S/C6H11ClO/c1-2-3-4-5-6(7)8/h2-5H2,1H3

Isomères SMILES

CCCCCC(=O)Cl

WGK Allemagne

1

Numéro ONU

2920

Groupe d'emballage

II

Poids moléculaire

134.6

Beilstein

506332

Reaxy-Rn

506332

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506332&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: 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

Propriétés chimiques et physiques

• Solubilité: Soluble in Chloroform,Ether
• Sensibilité: Moisture Sensitive
• Indice de réfraction: 1.426
• Point d'éclair (°F): 122 °F
• Point d'éclair (°C): 50°C(lit.)
• Point d'ébullition (°C): 150-153°C
• Point de fusion (°C): -87°C
• Poids moléculaire: 134.600 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• 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: 70.900
• 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