Dichloromethylphenylsilane

CAS: 149-74-6 · C7H8Cl2Si

2D Structure

Loading 3D structure...

CAS Registry Number

149-74-6

SMILES

C[Si](Cl)(Cl)c1ccccc1

InChI Key

GNEPOXWQWFSSOU-UHFFFAOYSA-N

InChI

InChI=1S/C7H8Cl2Si/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	191.13 g/mol	CAS Common Chemistry
	191.13300000000004 g/mol	RDKit
	191.133 g/mol	RDKit
	191.127 g/mol	chempirical lib
Density	1.19 g/cm³	CAS Common Chemistry
	1.1866 g/cm3 @ 20 °C	CAS Common Chemistry
Boiling Point	206.5 °C	CAS Common Chemistry
Canonical SMILES	Cl[Si](Cl)(C=1C=CC=CC1)C	CAS Common Chemistry
InChI	InChI=1S/C7H8Cl2Si/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3	CAS Common Chemistry
InChI Key	InChIKey=GNEPOXWQWFSSOU-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	-53 °C	CAS Common Chemistry
Name	Dichloromethylphenylsilane	CAS Common Chemistry
Heavy Atom Count	10	RDKit
Hydrogen Bond Acceptors	0	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	1	RDKit
Aromatic Ring Count	1	RDKit
Topological Polar Surface Area	0.0 Å²	RDKit
LogP	2.4432	RDKit
Molar Refractivity	49.40000000000002 cm³/mol	RDKit
Ring Count	1	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.1429	RDKit
	0.14	chempirical lib
Exact Mass	189.977232146 g/mol	RDKit

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 = 191.13 g/mol; density = 1.190 g/mL. Edit any field — others recompute live.

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