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1,5-Hexadiyne (stabilized with BHT) - >95.0%(GC), high purity , CAS No.628-16-0

COA

Grade & Purity:

≥95%(GC)

Cas Number: 628-16-0
Molecular Weight: 78.11
MDL number: MFCD00014924
PubChem CID: 69402

In stock

Item Number

H157362

Grouped product items
SKU	Size	Availability	Price	Qty
H157362-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$285.90
H157362-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,282.90

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Conjugation chemistry (47) Non heterocyclic block (8163)

Basic Description

Synonyms	Bipropargyl \| DTXSID6060848 \| EINECS 211-029-5 \| hexa-1,5-diyne \| Z4BAA98LQQ \| UNII-Z4BAA98LQQ \| CHEBI:37821 \| 1,5-Hexadiyne, stabilized \| MFCD00014924 \| 1,5-Hexadiyne (stabilized with BHT) \| AKOS022623515 \| HCCCH2CH2CCH \| T72733 \| Dipropargyl \| NSC 15517
Specifications & Purity	≥95%(GC)
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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	Unsaturated aliphatic hydrocarbons Acyclic acetylenes
Molecular Framework	Aliphatic acyclic compounds
Substituents	Acetylide - Unsaturated aliphatic hydrocarbon - Unsaturated hydrocarbon - 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	terminal acetylenic compound - alkadiyne
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

IUPAC Name	hexa-1,5-diyne
INCHI	InChI=1S/C6H6/c1-3-5-6-4-2/h1-2H,5-6H2
InChIKey	YFIBSNDOVCWPBL-UHFFFAOYSA-N
Smiles	C#CCCC#C
Isomeric SMILES	C#CCCC#C
Molecular Weight	78.11
Reaxy-Rn	505961
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=505961&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Sensitivity	Heat Sensitive
Refractive Index	1.44
Flash Point(°C)	-11 °C
Boil Point(°C)	86°C(lit.)
Molecular Weight	78.110 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	78.047 Da
Monoisotopic Mass	78.047 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	86.500
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

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