5-Chloro-1-pentyne - ≥98% , CAS No.14267-92-6

CAS: 14267-92-6 Cat. No.: C107731 Molecular Weight: 102.56 Beilstein Registry Number: 1736710 EC Number: 238-159-5

GRADE & PURITY ≥98%

Synonyms

DTXSID3065742 | 5-chloropentyne | BCP33456 | 5-chloro-pent-1-yne | 5-Chloropent-1-yne | 1-Pentyne, 5-chloro- | AKOS009156964 | 1-chloro-4-pentyne | ?5-Chloro-1-pentyne | 1-chloro-4-pentine | 4-Pentynyl Chloride | 5-Chloropent-1-yne pound>>1-Pentyne, 5-chl

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

An alkynyl substrate that is used with α-diazoesters in a copper-catalyzed synthesis of pyrazoles.
5-Chloro-1-pentyne was used in the synthesis of 5-chloro-2-trimethylstannyl-1-pentene by reacting with Me3SnCu.Me2S.It was also used with α-diazoesters in a copper-catalyzed synthesis of pyrazoles.

Specifications

Synonyms

DTXSID3065742 | 5-chloropentyne | BCP33456 | 5-chloro-pent-1-yne | 5-Chloropent-1-yne | 1-Pentyne, 5-chloro- | AKOS009156964 | 1-chloro-4-pentyne | ?5-Chloro-1-pentyne | 1-chloro-4-pentine | 4-Pentynyl Chloride | 5-Chloropent-1-yne pound>>1-Pentyne, 5-chl

Specifications & Purity

≥98%

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

≥98%

Names and Identifiers

• Pubchem Sid: 504755749
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755749
• Canonical Smiles: C#CCCCCl
• IUPAC Name: 5-chloropent-1-yne
• InChIKey: UXFIKVWAAMKFQE-UHFFFAOYSA-N
• INCHI: 1S/C5H7Cl/c1-2-3-4-5-6/h1H,3-5H2
• Isomeric SMILES: C#CCCCCl
• WGK Germany: 3
• UN Number: 1993
• Molecular Weight: 102.56
• Beilstein: 1736710
• Reaxy-Rn: 1736710
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1736710&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

• Solubility: Not miscible in water
• Sensitivity: Air Sensitive.
• Refractive Index: 1.444
• Flash Point(°F): 59 °F
• Flash Point(°C): 15 °C
• Boil Point(°C): 113°C
• Molecular Weight: 102.560 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 102.024 Da
• Monoisotopic Mass: 102.024 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 57.600
• 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

References

1. Luo Jinlan, Li Shen, Zong Peipei, Wang Xiaohui, Liu Keyin.  (2023)  Construction of xylan-based high-biocompatibility fluorescent probe for viscosity detection in live organisms.  CELLULOSE,  30  (18): (11605-11617).  [PMID:] [10.1007/s10570-023-05575-0]

2. Wenjie Bi, Zhiyuan Zheng, Yue Wang, Ziyang Shi, Kunlun Wang, Yingliang Liu, Shengang Xu, Shaokui Cao.  (2023)  Design, synthesis and properties of mesogen jacketed liquid crystalline polymers with fluorinated triphenylene pendants.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2023.123225]