3-Chlorohexane - ≥95%(GC) , CAS No.2346-81-8

CAS: 2346-81-8 Cat. No.: C153662 Formule: C₆H₁₃Cl Poids moléculaire: 120.62 Beilstein Registry Number: 1(4)349 Numéro CE: 219-072-1

QUALITÉ & PURETÉ ≥95%(GC)

Synonyms

EINECS 271-741-7 | SCHEMBL483757 | BXSMMAVTEURRGG-UHFFFAOYSA-N | EINECS 219-072-1 | Hexane, 3-chloro- | DTXSID90870956 | FT-0634206 | MFCD00039350 | 3-Chlorohexane | 3-chloro-hexane | 3-Hexyl Chloride | AKOS009159001 | InChI=1/C6H13Cl/c1-3-5-6(7)4-2/h6H,3

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Spécifications

Synonymes

EINECS 271-741-7 | SCHEMBL483757 | BXSMMAVTEURRGG-UHFFFAOYSA-N | EINECS 219-072-1 | Hexane, 3-chloro- | DTXSID90870956 | FT-0634206 | MFCD00039350 | 3-Chlorohexane | 3-chloro-hexane | 3-Hexyl Chloride | AKOS009159001 | InChI=1/C6H13Cl/c1-3-5-6(7)4-2/h6H,3

Spécifications et pureté

≥95%(GC)

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%(GC)

Noms et identifiants

Pubchem Sid

504753495

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753495

Sourires canoniques

CCCC(CC)Cl

IUPAC Name

3-chlorohexane

InChIKey

BXSMMAVTEURRGG-UHFFFAOYSA-N

INCHI

1S/C6H13Cl/c1-3-5-6(7)4-2/h6H,3-5H2,1-2H3

Isomères SMILES

CCCC(CC)Cl

Poids moléculaire

120.62

Beilstein

1(4)349

Reaxy-Rn

1731330

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731330&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Classe Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: Organochlorides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organochlorides
• Alternative Parents: Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organochloride - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organochlorides. These are compounds containing a chemical bond between a carbon atom and a chlorine atom.
• 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

• Indice de réfraction: 1.42
• Point d'éclair (°C): 25 °C
• Point d'ébullition (°C): 123°C
• Poids moléculaire: 120.620 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 120.071 Da
• Monoisotopic Mass: 120.071 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 35.200
• 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