1,8-Nonadiyne - CAS 2396-65-8

Catalog:	BB018264
Product Name:	1,8-Nonadiyne
CAS:	2396-65-8
Synonyms:	nona-1,8-diyne

Technical Data

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Computed Properties

IUPAC Name:	nona-1,8-diyne
Description:	1,8-Nonadiyne (CAS# 2396-65-8 ) is a useful research chemical.
Molecular Weight:	120.19
Molecular Formula:	C9H12
Canonical SMILES:	C#CCCCCCC#C
InChI:	InChI=1S/C9H12/c1-3-5-7-9-8-6-4-2/h1-2H,5-9H2
InChI Key:	DMOVPHYFYSASTC-UHFFFAOYSA-N
Boiling Point:	55-55.4 °C (13 torr)
Purity:	> 95.0 % (GC)
Density:	0.831 g/cm³
Appearance:	Colorless liquid
MDL:	MFCD00008581
LogP:	2.20330

Publication Number	Title	Priority Date
EP-3848201-A1	Printing of inherently porous three-dimensional polymer objects	20200113
CN-111039773-A	Method for synthesizing Î± -acrylic acid compound by catalyzing carbon dioxide and alkyne with palladium	20191225
CN-111039773-B	Method for synthesizing alpha-acrylic acid compound by catalyzing carbon dioxide and alkyne with palladium	20191225
WO-2021129082-A1	METHOD FOR SYNTHESIZING Î±-ACRYLIC ACID COMPOUND BY USING PALLADIUM TO CATALYZE CARBON DIOXIDE AND ALKYNE	20191225
US-2020299130-A1	Heterogeneous hydrogen-catalyst reactor	20190319

PMID	Publication Date	Title	Journal
21141983	20110104	Different functionalization of the internal and external surfaces in mesoporous materials for biosensing applications using 'click' chemistry	Langmuir : the ACS journal of surfaces and colloids
19159188	20090217	Silicon (100) electrodes resistant to oxidation in aqueous solutions: an unexpected benefit of surface acetylene moieties	Langmuir : the ACS journal of surfaces and colloids
16933795	20060501	2,6-hexadecadiynoic acid and 2,6-nonadecadiynoic acid: novel synthesized acetylenic fatty acids as potent antifungal agents	Lipids

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Warning

Complexity:	118
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	120.093900383
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	120.093900383
Rotatable Bond Count:	4
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3