CAS 112-04-9 Trichlorooctadecylsilane - Materials / Alfa Chemistry

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Trichlorooctadecylsilane

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Catalog Number

ACM112049-3

CAS Number

112-04-9

Product Name

Trichlorooctadecylsilane

Structure

Category

Silane Coupling Agents; Self Assembly and Contact Printing Materials

Synonyms

Octadecyltrichlorosilane; Trichloro(stearyl)silane

Description

Octadecyltrichlorosilane appears as a colorless liquid with a pungent odor. Decomposed by water to hydrochloric acid with the evolution of heat. Corrosive to metals and tissue. Used to make various silicon containing compounds.

IUPAC Name

trichloro(octadecyl)silane

Molecular Weight

387.93

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

162 °C at 13 mmHg

Melting Point

11 °C

Flash Point

191 °C

Purity

>85% (GC)

Density

0.984 g/mL at 25 °C (lit.)

Solubility

Soluble in benzene, ethyl ether, heptane, and perchloroethylene

Appearance

White or colorless to light yellow powder to lump to clear liquid

Storage

Store under inert gas

Color/Form

Water-white liquid

Complexity

217

Corrosivity

Corrosive

Covalently-Bonded Unit Count

EC Number

203-930-7

Exact Mass

386.173011

Formal Charge

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

MDL Number

MFCD00000484

MeSH Entry Terms

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

Monoisotopic Mass

386.173011

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

1.46

Rotatable Bond Count

Specific Gravity

0.98

Topological Polar Surface Area

0 Å²

UNII

1QLE771PKE

UN Number

1800;1800;1800

MSDS