Triethoxy(3-thiocyanatopropyl)silane

Base Information

• Chemical Name: Triethoxy(3-thiocyanatopropyl)silane
• CAS No.: 34708-08-2
• Molecular Formula: C10H21NO3SSi
• Molecular Weight: 263.433
• Hs Code.: 29319090
• European Community (EC) Number: 252-161-3
• UNII: LFK8NDL8UF
• DSSTox Substance ID: DTXSID5044659
• Nikkaji Number: J250.957A
• Wikidata: Q27282960
• Mol file: 34708-08-2.mol

Synonyms:34708-08-2;Triethoxy(3-thiocyanatopropyl)silane;3-Thiocyanatopropyltriethoxysilane;3-triethoxysilylpropyl thiocyanate;Thiocyanic acid, 3-(triethoxysilyl)propyl ester;3-(triethoxysilyl)propyl thiocyanate;LFK8NDL8UF;UNII-LFK8NDL8UF;EINECS 252-161-3;EC 252-161-3;C10H21NO3SSi;(3-Thiocyanatopropyl)triethoxysilane;Thicyanatopropyltriethoxysilane;SCHEMBL133479;thiocyanatopropyltriethoxysilane;3-Thicyanatopropyltriethoxysilane;DTXSID5044659;Si-264;3-Thiocyanotopropyltriethoxysilane;C10-H21-N-O3-S-Si;Triethoxy(3-thicyanatopropyl)silane;MFCD00043235;AKOS008901343;AS-19574;CS-0451431;FT-0613896;T3982;(.GAMMA.-THIOCYANATOPROPYL)TRIETHOXYSILANE;Q27282960;3-Thicyanatopropyltriethoxysilane, Contains ~10% Thicyanic Acid, 1-Methyl-3-(Triethoxysilyl)Propyl Ester

Chemical Property of Triethoxy(3-thiocyanatopropyl)silane

Chemical Property:

• Appearance/Colour: Straw to yellowish liquid with mild odor
• Vapor Pressure: 0.00119mmHg at 25°C
• Melting Point: <0 °C
• Refractive Index: 1.446
• Boiling Point: 299.4 °C at 760 mmHg
• Flash Point: 134.9 °C
• PSA: 76.78000
• Density: 1.029 g/cm³
• LogP: 2.63918
• Water Solubility.: 140-1000000mg/L at 20℃
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 263.10114124
• Heavy Atom Count: 16
• Complexity: 202

Purity/Quality:

99.9% ^*data from raw suppliers

3-Thiocyanatopropyltriethoxysilane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38-52/53-22
• Safety Statements: 26-36/37/39-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCO[Si](CCCSC#N)(OCC)OCC
• Description: 3-Thiocyanatopropyltriethoxysilane is a bifunctional, sulfur-containing organosilane for rubber applications in combination with white fillers containing silanol groups. In silane industry, it has good features that includes: It can improve reinforcing properties of fillers that contain hydroxyl groups. It can improve physical and mechanical properties of vulcanizates. It can improve tensile strength, tearing strength and abrasive resistance and reduce compression set of vulcanizates. In addition, it can reduce the viscosity and improve the processability of rubber products.

Technology Process of Triethoxy(3-thiocyanatopropyl)silane

There total 4 articles about Triethoxy(3-thiocyanatopropyl)silane 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: 92.0%

(3-chloropropyl)triethoxysilane (5089-70-3) + potassium thioacyanate (333-20-0) → 3-triethoxysilylpropyl thiocyanate (34708-08-2)

Guidance literature:

1,8-diazabicyclo[5.4.0]undec-7-ene; at 150 ℃; for 6h;

Reference yield: 90.26%

(3-chloropropyl)triethoxysilane (5089-70-3) + sodium thiocyanide (540-72-7) → 3-triethoxysilylpropyl thiocyanate (34708-08-2)

Guidance literature:

(3-chloropropyl)triethoxysilane; With cetyltrimethylammonium chloride; tetramethylurea; In ethanol; at 70 ℃; for 6h; Industrial scale;

sodium thiocyanide; In ethanol; at 90 ℃; for 3h; Industrial scale;

Reference yield:

N-{3-[diethoxy-iodosilyl]propyl}-N'-[3-(triethoxysilyl)propyl]thiourea → 3-triethoxysilylpropyl thiocyanate (34708-08-2) + triethoxy (3?isothiocyanatopropyl)silane (58698-89-8)

Guidance literature:

Heating;

DOI:10.1134/S1070428009040022

upstream raw materials:

(3-chloropropyl)triethoxysilane

potassium thioacyanate

sodium thiocyanide

Refernces

• 1、 -. "A cyano group Trialkoxysilanes synthetic method". Paragraph 0027-0029. . Retrieved 2017/12/06.