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Di-n-octyltin-dichloride - Analytical standard, high purity , CAS No.3542-36-7
Basic Description
Synonyms
Dichlorodioctyltin | 3542-36-7 | Di-n-octyltin dichloride | Dioctyltin dichloride | Stannane, dichlorodioctyl- | Dichlorodioctylstannane | DOTC | Dichloro(dioctyl)stannane | Di-n-octyltindichloride | Stannane, dioctyldichloro- | Di-n-octyl-zinn dichlorid | Tin, dioctyl-, dichl
Specifications & Purity
analytical standard
Storage Temp
Room temperature
Shipped In
Normal
Grade
analytical standard
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organometallic compounds
Class
Organo-post-transition metal compounds
Subclass
Organotin compounds
Intermediate Tree Nodes
Dialkyltins
Direct Parent
Dialkyltin salts
Alternative Parents
Metal alkyl halides Organic tin salts Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Dialkyltin salt - Metal alkyl halide - Organic metal salt - Hydrocarbon derivative - Organic tin salt - Organic salt - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as dialkyltin salts. These are salts of dialkyltin compounds.
External Descriptors
Not available
Data sources
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.
Names and Identifiers
IUPAC Name
dichloro(dioctyl)stannane
INCHI
InChI=1S/2C8H17.2ClH.Sn/c2*1-3-5-7-8-6-4-2;;;/h2*1,3-8H2,2H3;2*1H;/q;;;;+2/p-2
InChIKey
SBOSGIJGEHWBKV-UHFFFAOYSA-L
Smiles
CCCCCCCC[Sn](CCCCCCCC)(Cl)Cl
Isomeric SMILES
CCCCCCCC[Sn](CCCCCCCC)(Cl)Cl
Molecular Weight
416.06
Reaxy-Rn
4129172
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4129172&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Boil Point(°C)
175°/1mmHg
Melt Point(°C)
44-48°C
Molecular Weight
416.100 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
14
Exact Mass
416.106 Da
Monoisotopic Mass
416.106 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
166.000
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
Citations of This Product
1.
Xin Liu, Zilong Zhang, Jingdong Peng, Yuting He.
(2014)
High-performance liquid chromatography with resonance Rayleigh scattering detection for determining four tetracycline antibiotics. Analytical Methods,
6
(23):
(9361-9366).
2.
Jiamiao Wang, Jurong Lv, Zheyu Shen, Yan Liu, Xia Gao, Qiang Chen, Pei Liang.
(2025)
Development of rapid and data-driven detection methods for organotin compounds from microplastics: Integrating theoretical and experimental Raman and SERS database. MICROCHEMICAL JOURNAL,
209
(112836).
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2 Citations