6-Chloro-1-hexyne - ≥97%(GC) , CAS No.10297-06-0

CAS: 10297-06-0 Cat. No.: C154119 Molecular Weight: 116.59 Beilstein Registry Number: 1(4)1008 EC Number: 629-470-0

GRADE & PURITY ≥97%(GC)

Synonyms

1-chloro-5-hexyne | 6-Chloro-1-hexyne | ZUKOCGMVJUXIJA-UHFFFAOYSA- | 5-Hexynechloride | 6-chloro-hex-1-yne | 6-chlorohex-1-yne | EN300-95983 | 5-Hexynyl Chloride | AKOS009156863 | DTXSID00297453 | InChI=1/C6H9Cl/c1-2-3-4-5-6-7/h1H,3-6H2 | SY011191 | MFCD0

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

6-Chloro-1-hexyne is a halogenated hydrocarbon. It shows high reactivity in milling process during the synthesis of chloroalkyl-functionalized silicon nanoparticles due to the presence of triple bond.
6-Chloro-1-hexyne was used in the preparation of novel bis(indolyl)maleimide pyridinophanes and disubstituted polyacetylenes bearing naphthalene pendants with varying spacer lengths. It may be used in the preparation of diethyl 6-chloro-1-hexynylphosphonate, by lithiation with n-BuLi followed by the reaction with diethyl chlorophosphate.

Specifications

Synonyms

1-chloro-5-hexyne | 6-Chloro-1-hexyne | ZUKOCGMVJUXIJA-UHFFFAOYSA- | 5-Hexynechloride | 6-chloro-hex-1-yne | 6-chlorohex-1-yne | EN300-95983 | 5-Hexynyl Chloride | AKOS009156863 | DTXSID00297453 | InChI=1/C6H9Cl/c1-2-3-4-5-6-7/h1H, 3-6H2 | SY011191 | MFCD0

Specifications & Purity

≥97%(GC)

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%(GC)

Names and Identifiers

• Pubchem Sid: 488189192
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189192
• Canonical Smiles: C#CCCCCCl
• IUPAC Name: 6-chlorohex-1-yne
• InChIKey: ZUKOCGMVJUXIJA-UHFFFAOYSA-N
• INCHI: 1S/C6H9Cl/c1-2-3-4-5-6-7/h1H,3-6H2
• Isomeric SMILES: C#CCCCCCl
• WGK Germany: 3
• Molecular Weight: 116.59
• Beilstein: 1(4)1008
• Reaxy-Rn: 1739919
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1739919&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Acetylides

• Kingdom: Organic compounds
• Superclass: Acetylides
• Class: Not available
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Acetylides
• Alternative Parents: Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acetylide - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as acetylides. These are compounds arising by replacement of one or both hydrogen atoms of acetylene (ethyne) by a metal or other cationic group. E.g. NaC#CH monosodium acetylide. By extension, analogous compounds derived from terminal acetylenes, RC#CH. The class is limited here to derivatives of acetylene where the hydrogen atom is replaced with an element with similar or lower electronegativity that carbon.
• 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

Chemical and Physical Properties

• Sensitivity: Air & Heat Sensitive
• Refractive Index: 1.45
• Flash Point(°F): 99°F
• Flash Point(°C): 37℃
• Boil Point(°C): 83℃/95mm
• Molecular Weight: 116.590 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 116.039 Da
• Monoisotopic Mass: 116.039 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 67.500
• 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