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

CAS: 2346-81-8 Cat. No.: C153662 Fórmula: C₆H₁₃Cl Peso molecular: 120.62 Beilstein Registry Number: 1(4)349 Número CE: 219-072-1

GRAU & PUREZA ≥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

Especificações

Sinónimos

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

Especificações e pureza

≥95%(GC)

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%(GC)

Nomes e identificadores

Pubchem Sid

504753495

Pubchem Sid Url

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

Sorrisos canónicos

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

SMILES isoméricas

CCCC(CC)Cl

Peso molecular

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
• Descrição: 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

Propriedades químicas e físicas

• Índice de refração: 1.42
• Ponto de inflamação (°C): 25 °C
• Ponto de ebulição (°C): 123°C
• Peso molecular: 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