1-Chlorohexane - Standard for GC, ≥99.5%(GC) , CAS No.544-10-5

CAS: 544-10-5 Cat. No.: C109281 Formule: C₆H₁₃Cl Poids moléculaire: 120.62 Beilstein Registry Number: 1731289 Numéro CE: 208-859-5

GRADE & PURITY Standard for GC, ≥99.5%(GC)

Synonyms

1-Chlorohexane, 96% | SCHEMBL51706 | EC 208-859-5 | normal-Hexyl chloride | 1-Chlorohexane, analytical standard | R5L7I6O9NW | InChI=1/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3 | 1-CHLOROHEXANE [MI] | Hexyl chloride | STL481900 | 1-CHLOROHEXANE | 1-Chloro-hexane

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonymes

1-Chlorohexane, 96% | SCHEMBL51706 | EC 208-859-5 | normal-Hexyl chloride | 1-Chlorohexane, analytical standard | R5L7I6O9NW | InChI=1/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3 | 1-CHLOROHEXANE [MI] | Hexyl chloride | STL481900 | 1-CHLOROHEXANE | 1-Chloro-hexane

Spécifications et pureté

Standard for GC, ≥99.5%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

FedEx DG Service

Grade

Standard for GC

Pureté

≥99.5%(GC)

Noms et identifiants

Pubchem Sid

528772616

Sourires canoniques

CCCCCCCl

IUPAC Name

1-chlorohexane

InChIKey

MLRVZFYXUZQSRU-UHFFFAOYSA-N

INCHI

1S/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3

Isomères SMILES

CCCCCCCl

WGK Allemagne

1

Numéro ONU

1993

Groupe d'emballage

I

Poids moléculaire

120.62

Beilstein

1731289

Reaxy-Rn

1731289

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731289&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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Insoluble in water, soluble in most organic solvents such as methanol, ethanol, benzene, and oils.
• Indice de réfraction: 1.419
• Point d'éclair (°F): 80.6 °F
• Point d'éclair (°C): 27 °C
• Point d'ébullition (°C): 133-134°C
• Point de fusion (°C): -94°C
• Poids moléculaire: 120.620 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• 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: 27.400
• 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