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1-Hexadecyne - ≥90%（GC）, high purity , CAS No.629-74-3

COA

Grade & Purity:

≥90%(GC)

Cas Number: 629-74-3
Molecular Weight: 222.42
Beilstein Registry Number: 1(4)1073
MDL number: MFCD00015084
PubChem CID: 12396
PubChem SID: 504752325

In stock

Item Number

H157365

Grouped product items
SKU	Size	Availability	Price
H157365-1ml	1ml	3	$9.90
H157365-5ml	5ml	3	$30.90
H157365-25ml	25ml	3	$136.90

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Conjugation chemistry (47) Non heterocyclic block (8163)

Basic Description

Synonyms	BS-22713 \| AKOS015836227 \| hexadec-1-yne \| D90869 \| EINECS 211-106-3 \| Tetradecylacetylene \| FT-0607884 \| 1-HEXADECYNE \| DTXSID2060880 \| MFCD00015084 \| N-TETRADECYLACETYLENE \| H0433
Specifications & Purity	≥90%(GC)
Shipped In	Normal

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	Terminal alkynes Unsaturated aliphatic hydrocarbons
Molecular Framework	Aliphatic acyclic compounds
Substituents	Acetylide - Monosubstituted alkyne - Unsaturated aliphatic hydrocarbon - Unsaturated hydrocarbon - Alkyne - Acyclic acetylene - Acetylene - Hydrocarbon - 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
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

Names and Identifiers

Pubchem Sid	504752325
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504752325
IUPAC Name	hexadec-1-yne
INCHI	InChI=1S/C16H30/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h1H,4-16H2,2H3
InChIKey	UCIDYSLOTJMRAM-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCCC#C
Isomeric SMILES	CCCCCCCCCCCCCCC#C
Molecular Weight	222.42
Beilstein	1(4)1073
Reaxy-Rn	1702804
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1702804&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot Number	Certificate Type	Date	Item
F2309575	Certificate of Analysis	May 09, 2023	H157365
F2309602	Certificate of Analysis	May 09, 2023	H157365
F2309574	Certificate of Analysis	May 09, 2023	H157365
F2309607	Certificate of Analysis	May 09, 2023	H157365
F2309608	Certificate of Analysis	May 09, 2023	H157365
F2309610	Certificate of Analysis	May 09, 2023	H157365

Chemical and Physical Properties

Refractive Index	1.45
Flash Point(°F)	108°C(lit.)
Flash Point(°C)	108°C(lit.)
Boil Point(°C)	284°C(lit.)
Melt Point(°C)	13 °C
Molecular Weight	222.410 g/mol
XLogP3	7.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	12
Exact Mass	222.235 Da
Monoisotopic Mass	222.235 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	160.000
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

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