Di-n-octyltin-dichloride - analytical standard , CAS No.3542-36-7

CAS: 3542-36-7 Cat. No.: D192949 Molecular Weight: 416.06 EC Number: 222-583-2

GRADE & PURITY Analytical standard

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

Storage

Room temperature

Shipped In

Normal

Specifications

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

Room temperature

Shipped In

Normal

Grade

Analytical standard

Names and Identifiers

• Canonical Smiles: CCCCCCCC[Sn](CCCCCCCC)(Cl)Cl
• IUPAC Name: dichloro(dioctyl)stannane
• InChIKey: SBOSGIJGEHWBKV-UHFFFAOYSA-L
• 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
• 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=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Class Organo-post-transition metal compounds
      • Subclass Organotin compounds
        • Level5 Dialkyltins
          • Level6 Dialkyltin salts

• 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Boil Point(°C): 175°/1mmHg
• Melt Point(°C): 44-48°C
• Molecular Weight: 416.100 g/mol
• 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

XLogP3

References

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).  [PMID:] [10.1039/C4AY01747A]

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,      [PMID:] [10.1016/j.microc.2025.112836]

3. Zheyu Shen, Qiang Chen, Xia Gao, Yan Liu, Jiamin Wang, Pei Liang.  (2026)  Rapid and Ultrasensitive Detection of Dioctyltin in Textiles Using Surface-Enhanced Raman Spectroscopy (SERS): Mechanistic Insights and Practical Applications.  SENSORS,  26  (6): (1891).  [PMID:41902058] [10.3390/s26061891]