Name: Ethynyltributylstannane - ≥97% , CAS No.994-89-8
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Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organometallic compounds
Class	Organo-post-transition metal compounds
Subclass	Organotin compounds
Intermediate Tree Nodes	Triorganotin compounds
Direct Parent	Trialkyltins
Alternative Parents	Acetylides Organic salts Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Trialkyltin - Acetylide - Hydrocarbon derivative - Organic salt - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as trialkyltins. These are triorganotin compounds where the tin atom is linked to exactly three alkyl groups.
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

3D Structure

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

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

Analytical Chart:

Chemical and Physical Properties

Solubility	Not miscible or difficult to mix with water.
Sensitivity	Moisture sensitive；air sensitive
Refractive Index	1.4770
Flash Point(°F)	163°F
Flash Point(°C)	73°C
Boil Point(°C)	70° C at 0.2 mmHg
Molecular Weight	315.080 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	10
Exact Mass	316.121 Da
Monoisotopic Mass	316.121 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	165.000
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

Solution Calculators

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Reviews

Canonical Smiles	CCCC[Sn](CCCC)(CCCC)C#C
IUPAC Name	tributyl(ethynyl)stannane
InChIKey	YEMJHNYABQHWHL-UHFFFAOYSA-N
INCHI	1S/3C4H9.C2H.Sn/c31-3-4-2;1-2;/h31,3-4H2,2H3;1H;
Isomeric SMILES	CCCC[Sn](CCCC)(CCCC)C#C
UN Number	2788
Packing Group	III
Molecular Weight	315.07
Reaxy-Rn	3537659
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3537659&ln=

Ethynyltributylstannane - ≥97% , CAS No.994-89-8

Overview