Phenylsilane

CAS: 694-53-1 · C6H8Si

2D Structure

Loading 3D structure...

CAS Registry Number

694-53-1

SMILES

[SiH3]c1ccccc1

InChI Key

PARWUHTVGZSQPD-UHFFFAOYSA-N

InChI

InChI=1S/C6H8Si/c7-6-4-2-1-3-5-6/h1-5H,7H3

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	108.22 g/mol	CAS Common Chemistry
	108.21599999999997 g/mol	RDKit
	108.216 g/mol	RDKit
Density	0.87 g/cm³	CAS Common Chemistry
	0.868 g/cm3	CAS Common Chemistry
Wikipedia Url	https://en.wikipedia.org/wiki/Phenylsilane	CAS Common Chemistry
Boiling Point	119 °C	CAS Common Chemistry
Canonical SMILES	C=1C=CC(=CC1)[SiH3]	CAS Common Chemistry
InChI	InChI=1S/C6H8Si/c7-6-4-2-1-3-5-6/h1-5H,7H3	CAS Common Chemistry
InChI Key	InChIKey=PARWUHTVGZSQPD-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	-68--64 °C	CAS Common Chemistry
Name	Phenylsilane	CAS Common Chemistry
Heavy Atom Count	7	RDKit
Hydrogen Bond Acceptors	0	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	0	RDKit
Aromatic Ring Count	1	RDKit
Topological Polar Surface Area	0.0 Å²	RDKit
LogP	-0.3227	RDKit
Molar Refractivity	36.01500000000001 cm³/mol	RDKit
Ring Count	1	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.0	RDKit
Exact Mass	108.039526786 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 = 108.22 g/mol; density = 0.870 g/mL. Edit any field — others recompute live.

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