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

CAS: 544-10-5 Cat. No.: C109281 Summenformel: C₆H₁₃Cl Molekulargewicht: 120.62 Beilstein Registry Number: 1731289 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

Standard for GC, ≥99.5%(GC)

Storage

Room temperature

Verschickt in

FedEx DG Service

Note

Standard for GC

Reinheit

≥99.5%(GC)

Namen und Kennungen

Pubchem Sid

528772616

Kanonisches Lächeln

CCCCCCCl

IUPAC Name

1-chlorohexane

InChIKey

MLRVZFYXUZQSRU-UHFFFAOYSA-N

INCHI

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

Isomere SMILES

CCCCCCCl

WGK Deutschland

1

UN-Nummer

1993

Verpackungsgruppe

I

Molekulargewicht

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
    • Klasse Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Klasse: 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
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Insoluble in water, soluble in most organic solvents such as methanol, ethanol, benzene, and oils.
• Brechungsindex: 1.419
• Flammpunkt (°F): 80.6 °F
• Flammpunkt (°C): 27 °C
• Siedepunkt (°C): 133-134°C
• Schmelzpunkt (°C): -94°C
• Molekulargewicht: 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