Calcium Disilicide

CAS: 12013-56-8 · CaSi2

2D Structure

Loading 3D structure...

CAS Registry Number

12013-56-8

SMILES

[Ca].[Si].[Si]

InChI Key

HAUJAPUPPYHUGS-UHFFFAOYSA-N

InChI

InChI=1S/Ca.2Si

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	96.25 g/mol	CAS Common Chemistry
	106.33 g/mol	chempirical lib
Wikipedia Url	https://en.wikipedia.org/wiki/Calcium_disilicide	CAS Common Chemistry
Canonical SMILES	[Si]#[Ca]#[Si]	CAS Common Chemistry
InChI	InChI=1S/Ca.2Si	CAS Common Chemistry
InChI Key	InChIKey=HAUJAPUPPYHUGS-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	1033 °C	CAS Common Chemistry
Name	Calcium silicide (CaSi2)	CAS Common Chemistry
	Calcium disilicide	CAS Common Chemistry
Heavy Atom Count	3	RDKit
Hydrogen Bond Acceptors	0	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	0	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	0.0 Å²	RDKit
LogP	-1.1424	RDKit
Molar Refractivity	17.262 cm³/mol	RDKit
Ring Count	0	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.0	RDKit
Exact Mass	95.91644404 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 = 96.25 g/mol. Edit any field — others recompute live.

Mass (g) Moles (mmol) Moles (mol)