Trichlorononylsilane

CAS: 5283-67-0 · C9H19Cl3Si

2D Structure

Loading 3D structure...

CAS Registry Number

5283-67-0

SMILES

CCCCCCCCC[Si](Cl)(Cl)Cl

InChI Key

SSBOTKQTCWQWMG-UHFFFAOYSA-N

InChI

InChI=1S/C9H19Cl3Si/c1-2-3-4-5-6-7-8-9-13(10,11)12/h2-9H2,1H3

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	261.70 g/mol	CAS Common Chemistry
	261.696 g/mol	RDKit
	261.687 g/mol	chempirical lib
Density	1.07 g/cm³	CAS Common Chemistry
	1.072 g/cm3 @ 25 °C	CAS Common Chemistry
Canonical SMILES	Cl[Si](Cl)(Cl)CCCCCCCCC	CAS Common Chemistry
InChI	InChI=1S/C9H19Cl3Si/c1-2-3-4-5-6-7-8-9-13(10,11)12/h2-9H2,1H3	CAS Common Chemistry
InChI Key	InChIKey=SSBOTKQTCWQWMG-UHFFFAOYSA-N	CAS Common Chemistry
Name	Trichlorononylsilane	CAS Common Chemistry
Heavy Atom Count	13	RDKit
Hydrogen Bond Acceptors	0	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	8	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	0.0 Å²	RDKit
LogP	5.392300000000004	RDKit
	5.3923	RDKit
	5.7	chempirical lib
Molar Refractivity	66.11300000000004 cm³/mol	RDKit
Ring Count	0	RDKit
Formal Charge	0	RDKit
Fraction Csp3	1.0	RDKit
Exact Mass	260.032160178 g/mol	RDKit
Boiling Point	116.2 °C @ 10 Torr	CAS Common Chemistry

NMR, IR, and Mass spectral data

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

Convert

MW = 261.70 g/mol; density = 1.070 g/mL. Edit any field — others recompute live.

Mass (g) Moles (mmol) Moles (mol) Volume (mL)