CAS 112-04-9 Trichloro(octadecyl)silane - Materials / Alfa Chemistry

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Trichloro(octadecyl)silane

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Catalog Number

ACM112049-1

CAS Number

112-04-9

Product Name

Trichloro(octadecyl)silane

Structure

Category

Self-Assembly Materials; Substrates and Electrode Materials

Synonyms

N-OCTADECYLTRichlorotrichlorooctadecyl;Trichloro(octadecyl)trichlorooctadecyl;Trichlorostearyltrichlorooctadecyl;Stearyltrichlorotrichlorooctadecyl;trichlorooctadecyl, trichlorooctadecyl-

Description

Octadecyltrichlorotrichlorooctadecyl (ODTS, or n-octadecyltrichlorotrichlorooctadecyl) is an organometallic chemical. It is used in semiconductor industry to form self-assembled monolayer thin films on silicon dioxide substrates. Its structural chemical formula is CH3(CH2)17SiCl3. It is flammable, reacts with water, and is also sensitive to air. It is corrosive and can severely damage mucous membranes. Its EINECS number is 203-930-7.Octadecyltrichlorotrichlorooctadecyl is an amphiphilic molecule consisting of a long-chain alkyl group (C18H37–) and a polar head group (SiCl3–), which forms Self assembled monolayers (SAMs) on various oxidic substrates.ODTS finds its use in molecular electronics, as thin insulating gates in Metal-Insulator-Semiconductor Field-Effect Transistors.Dodecyltrichlorotrichlorooctadecyl, an ODTS analog with shorter alkyl chain, is used for the same purpose as well.ODTS-PVP films are used in organic-substrate LCD displays.

IUPAC Name

trichloro(octadecyl)silane

Molecular Weight

387.9g/mol

Molecular Formula

C18H37Cl3Si

Canonical SMILES

CCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl

InChI

InChI=1S/C18H37Cl3Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21/h2-18H2,1H3

InChI Key

PYJJCSYBSYXGQQ-UHFFFAOYSA-N

Boiling Point

380 °C

Melting Point

22°C

Flash Point

193 °F

Density

0.984 g/mL at 25 °C(lit.)

Solubility

Soluble in benzene, ethyl ether, heptane, and perchloroethylene

Appearance

Colorless clear liquid

Color/Form

Water-white liquid

Complexity

217

Corrosivity

Corrosive

Covalently-Bonded Unit Count

EC Number

203-930-7

Exact Mass

386.173011g/mol

Formal Charge

Hazard Class

Heavy Atom Count

Log P

8.90320

MDL Number

MFCD00000484

MeSH Entry Terms

18-acetoxy-octadecyltrichlorosilane;n-octadecyltrichlorosilane;n-OTS;octadecyltrichlorosilane;trichlorooctadecylsilane

Monoisotopic Mass

386.173011g/mol

NSC Number

96644

Other Experimental

Combustible;Reacts with water or steam to produce toxic and corrosive fumes;BP: 223 °C at 10 mm Hg;The reaction of organosilanes with halogens and halogen cmpd usually proceeds in good yield through cleavage of the Si--H bond and formation of the silicon-halogen bond. Reaction with fluorine, however, does not proceed satisfactorily because of cleavage of not only the Si--H but also C--Si and C--H bonds. Direct halogenation with chlorination, bromine, and iodine proceeds smoothly, however. /Organosilanes/

Refractive Index

n20/D 1.459(lit.)

Rotatable Bond Count

Stability

Stable. Reacts violently with water. Incompatible with strong acids, strong bases, strong oxidizing agents. Air-sensitive. Combustible.

UNII

1QLE771PKE

UN Number

1800;1800;1800

Vapor Pressure

<5 mm Hg ( 20 °C)

WGK Germany