Chlorotrihexylsilane

Base Information

• Chemical Name: Chlorotrihexylsilane
• CAS No.: 3634-67-1
• Molecular Formula: C18H39ClSi
• Molecular Weight: 319.046
• Hs Code.: 2931900090
• European Community (EC) Number: 222-851-9
• NSC Number: 139855
• UNII: AW56FPB3TS
• DSSTox Substance ID: DTXSID0063107
• Nikkaji Number: J205.555D
• Wikidata: Q81990489
• Mol file: 3634-67-1.mol

Synonyms:Chlorotrihexylsilane;3634-67-1;Silane, chlorotrihexyl-;Trihexylchlorosilane;tri-n-Hexylchlorosilane;Chloro(trihexyl)silane;C18H39ClSi;AW56FPB3TS;EINECS 222-851-9;NSC 139855;NSC-139855;chloro-trihexylsilane;NSC139855;tri-n-hexylsilyl chloride;UNII-AW56FPB3TS;Chlorotrihexylsilane, 97%;ADEPHENINEHYDROCHLORIDE;C18-H39-Cl-Si;SCHEMBL133207;DTXSID0063107;WZQSBCHNVPAYOC-UHFFFAOYSA-;MFCD00000510;AKOS015915893;[Si](Cl)(CCCCCC)(CCCCCC)CCCCCC;AS-84198;BP-21413;C3556;CS-0152320;FT-0634941;D89567;EN300-6473293;J-520041

Chemical Property of Chlorotrihexylsilane

Chemical Property:

• Vapor Pressure: 0.000637mmHg at 25°C
• Refractive Index: 1.4560
• Boiling Point: 319.3 °C at 760 mmHg
• Flash Point: 188.6 °C
• PSA: 0.00000
• Density: 0.855 g/cm³
• LogP: 7.91160
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 15
• Exact Mass: 318.2509555
• Heavy Atom Count: 20
• Complexity: 163

Purity/Quality:

98%,99%, ^*data from raw suppliers

Chlorotrihexylsilane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45-28-27

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCC[Si](CCCCCC)(CCCCCC)Cl
• Uses: Chlorotrihexylsilane is used as a surface modifier. It is used for enhanced dispersion of phosphor in polymeric matrix by using surface-modification

Technology Process of Chlorotrihexylsilane

There total 4 articles about Chlorotrihexylsilane 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: 99.0%

tri-n-hexylsilane (2929-52-4) → trihexylsilyl chloride (3634-67-1)

Guidance literature:

With tetrachloromethane; palladium dichloride; for 2h; Reflux;

DOI:10.1039/d0tc04536e

Reference yield: 42.4%

tetrachlorosilane (10026-04-7,53609-55-5) + n-hexylmagnesium bromide (3761-92-0) → trihexylsilyl chloride (3634-67-1)

Guidance literature:

In not given;

Reference yield:

1-bromo-hexane (111-25-1) → trihexylsilyl chloride (3634-67-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: magnesium / tetrahydrofuran / 0 °C / Reflux

1.2: 0 - 20 °C / Reflux

2.1: palladium dichloride; tetrachloromethane / 2 h / Reflux

With tetrachloromethane; magnesium; palladium dichloride; In tetrahydrofuran;

DOI:10.1039/d0tc04536e

upstream raw materials:

n-hexylmagnesium bromide

tri-n-hexylsilane

tetrachlorosilane

1-bromo-hexane

Downstream raw materials:

(+)-(5S,S(S))-(2E)-[4-(p-tolylsulfinyl)deca-1,3-dien-5-yloxy]trihexylsilane

bis(tri-n-hexylsilyl oxide) silicon phthalocyanine

bis(tri-n-butylsilyl oxide) silicon phthalocyanine

silicon phthalocyanine tri-n-butylsilyl oxide tri-n-hexylsilyl oxide

Refernces

• 1、 Fan, Xuanzi,Xiao, Pin,Jiao, Zeqing,Yang, Tingting,Dai, Xiaojuan,Xu, Wengang,Tan, Jin Da,Cui, Ganglong,Su, Hongmei,Fang, Weihai,Wu, Jie. "Neutral-Eosin-Y-Photocatalyzed Silane Chlorination Using Dichloromethane". supporting information. p. 12580 - 12584. Retrieved 2019/08/16.