Octyltin trichloride

Base Information

• Chemical Name: Octyltin trichloride
• CAS No.: 3091-25-6
• Molecular Formula: C8H17 Cl3 Sn
• Molecular Weight: 338.292
• European Community (EC) Number: 221-435-4
• NSC Number: 297508
• UNII: D5LF90P46Q
• DSSTox Substance ID: DTXSID3029659
• Wikidata: Q27276130
• Mol file: 3091-25-6.mol

Synonyms:Octyltin trichloride;3091-25-6;trichloro(octyl)stannane;Stannane, trichlorooctyl-;Octyltrichlorotin;n-Octyltin trichloride;Mono-n-octyltin trichloride;Octyltrichlorostannane;Trichlorooctylstannane;n-Octyltrichlorostannane;Trichloro-n-octylstannane;Stannane, octyltrichloro-;Tin, octyl-, trichloride;Monooctyltin trichloride;EINECS 221-435-4;Mono-n-octyl-zinn-trichlorid [German];NSC 297508;Mono-n-octyl-zinn-trichlorid;UNII-D5LF90P46Q;D5LF90P46Q;NSC-297508;EC 221-435-4;n-Octyltin-trichloride;octyltin chloride;Trichlorooctyl-stannane;C8H17Cl3Sn;C8H17SnCl3;TIN, TRICHLOROOCTYL-;C8-H17-Cl3-Sn;Octyltrichlorotin, tech -95;SCHEMBL1487532;DTXSID3029659;C(CCCCCCC)[Sn](Cl)(Cl)Cl;MFCD00078003;NSC297508;AKOS015839918;LS-146597;FT-0702678;Q27276130;n-Octyltin-trichloride 1000 microg/mL in Dichloromethane

Chemical Property of Octyltin trichloride

Chemical Property:

• Vapor Pressure: 0.00206mmHg at 25°C
• Boiling Point: 299.9°Cat760mmHg
• Flash Point: 135.2°C
• Density: g/cm³
• Water Solubility.: 330μg/L at 20℃
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 6
• Exact Mass: 337.941786
• Heavy Atom Count: 12
• Complexity: 101

Purity/Quality:

98% ^*data from raw suppliers

Trichlorooctyl-stannane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Mildly toxic by ingestion. TWA 0.1 mg(Sn)/m³; STEL 0.2 mg(Sn)/m³ (skin).
• Hazard Codes: Mildly toxic by ingestion. TWA 0.1 mg(Sn)/m3; STEL 0.2 mg(Sn)/m3 (skin).
• Statements: 34
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Metals -> Tin Compounds, Organic
• Canonical SMILES: CCCCCCCC[Sn](Cl)(Cl)Cl

Technology Process of Octyltin trichloride

There total 13 articles about Octyltin trichloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

trioctylaluminum (1070-00-4) → n-octyltin trichloride (3091-25-6) + di-n-octyltin dichloride (3542-36-7) + trioctyltin chloride (2587-76-0)

Guidance literature:

With tert-butyl methyl ether; tin(IV) chloride; at 50 ℃; for 0.75h; Product distribution / selectivity;

Reference yield: 81.0%

Schwartz's reagent + oct-1-ene (111-66-0,25068-25-1) + tin(IV) chloride (7646-78-8) → zirconocene dichloride (1291-32-3) + n-octyltin trichloride (3091-25-6)

Guidance literature:

In hexane; benzene; a mixt. of Cp2ZrHCl and 1-octene in benzene was stirred for ca. 2 h at room temp. under N2, a soln. of anhyd. SnCl4 in n-hexane was added dropwise (Cp2ZrHCl/SnCl4 ratio 2:1), stirred for a further 1 h 30 min; hexane was added, ppt. of Cp2ZrCl2 was filtered off, filtrate was concd., residue extd. with hexane, exts. were combined, concd., dild. with methanol; (octyl)SnCl3 content was detd. by titrn. with 0.02 M EDTA;

DOI:10.1016/0022-328X(87)80305-4

Reference yield: 61.0%

Schwartz's reagent + cis-3-octene (14850-22-7) + tin(IV) chloride (7646-78-8) → zirconocene dichloride (1291-32-3) + n-octyltin trichloride (3091-25-6)

Guidance literature:

In hexane; benzene; a mixt. of Cp2ZrHCl and 3-octene in benzene was stirred for ca. 2 h at room temp. under N2, a soln. of anhyd. SnCl4 in n-hexane was added dropwise (Cp2ZrHCl/SnCl4 ratio 2:1), stirred for a further 1 h 30 min; hexane was added, ppt. of Cp2ZrCl2 was filtered off, filtrate was concd., residue extd. with hexane, exts. were combined, concd., dild. with methanol; (octyl)SnCl3 content was detd. by titrn. with 0.02 M EDTA;

DOI:10.1016/0022-328X(87)80305-4

upstream raw materials:

trioctylaluminum

hydrogenchloride

oct-1-ene

triethylamine hydrochloride

Downstream raw materials:

di-n-octyltin dichloride

octyltin tris(isooctyl thioglycollate)

n-Octyl-tri-n-butyl-stannan

2-octene

Refernces

• 1、 -. "Process for the preparation of monoalkyl tin trihalides and dialkyl tin dihalides". Page/Page column 6. . Retrieved 2008/06/13.
• 2、 Das, V. G. Kumar,Chee, Ong Ghee. "A Convient Synthesis of Monooctyltin(IV) Compounds from 1-, 2-, or 3-Octenes". . p. 335 - 338. Retrieved 2007/10/02.