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5-Hexynenitrile - 97%, high purity , CAS No.14918-21-9

COA

Grade & Purity:

≥97%

Cas Number: 14918-21-9
Molecular Weight: 93.12
MDL number: MFCD00001978
PubChem CID: 139852
PubChem SID: 488188049

In stock

Item Number

H468765

Grouped product items
SKU	Size	Availability	Price
H468765-200mg	200mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$17.90
H468765-1g	1g	6	$67.90
H468765-5g	5g	5	$330.90
H468765-25g	25g	5	$1,167.90

Basic Description

Synonyms	5-Hexynenitrile \| FT-0620453 \| 5-Hexynenitrile, 97% \| AKOS006221184 \| 5-Cyano-1-pentyne \| A808857 \| MFCD00001978 \| DTXSID10164187 \| hex-5-ynenitrile \| A929282 \| J-008560 \| EN300-119433 \| ?5-CYANO-1-PENTYNE \| E78185
Specifications & Purity	≥97%
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.
Product Description	Description 5-Hexynenitrile was used in the synthesis of annelated symmetric and asymmetric 3,3′-disubstituted 2,2′-bipyridines by cobalt(I)-catalyzed [2+2+2] cycloadditions with 1,3-diynes.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Organic cyanides

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Organic cyanides
Intermediate Tree Nodes	Not available
Direct Parent	Nitriles
Alternative Parents	Acetylides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Acetylide - Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as nitriles. These are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N.
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	488188049
IUPAC Name	hex-5-ynenitrile
INCHI	InChI=1S/C6H7N/c1-2-3-4-5-6-7/h1H,3-5H2
InChIKey	JZYKFLLRVPPISG-UHFFFAOYSA-N
Smiles	C#CCCCC#N
Isomeric SMILES	C#CCCCC#N
UN Number	1993
Packing Group	III
Molecular Weight	93.12
Reaxy-Rn	1735926
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1735926&ln=

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

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Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
E23061093	Certificate of Analysis	Apr 01, 2023	H468765
E23061085	Certificate of Analysis	Apr 01, 2023	H468765
E23061084	Certificate of Analysis	Apr 01, 2023	H468765
E23061102	Certificate of Analysis	Apr 01, 2023	H468765
E23061101	Certificate of Analysis	Apr 01, 2023	H468765
E23061083	Certificate of Analysis	Apr 01, 2023	H468765

Chemical and Physical Properties

Refractive Index	1.44
Flash Point(°F)	107.6 °F
Flash Point(°C)	42 °C
Boil Point(°C)	115-117° C (lit.)
Molecular Weight	93.130 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	93.0578 Da
Monoisotopic Mass	93.0578 Da
Topological Polar Surface Area	23.800 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	118.000
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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