Calcium Phosphide

CAS: 1305-99-3 · CaP

2D Structure

Loading 3D structure...

CAS Registry Number

1305-99-3

SMILES

[Ca].[P]

InChI Key

ZQBZAOZWBKABNC-UHFFFAOYSA-N

InChI

InChI=1S/Ca.P

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	71.05 g/mol	CAS Common Chemistry
	71.052 g/mol	RDKit
	76.092 g/mol	chempirical lib
Density	2.51 g/cm³	CAS Common Chemistry
	2.51 g/cm3	CAS Common Chemistry
Wikipedia Url	https://en.wikipedia.org/wiki/Calcium_phosphide	CAS Common Chemistry
Canonical SMILES	[P].[Ca]	CAS Common Chemistry
InChI	InChI=1S/Ca.P	CAS Common Chemistry
InChI Key	InChIKey=ZQBZAOZWBKABNC-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	1600 °C (approx)	CAS Common Chemistry
Name	Calcium phosphide	CAS Common Chemistry
Heavy Atom Count	2	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	0.48039999999999994	RDKit
	0.4804	RDKit
Molar Refractivity	12.674 cm³/mol	RDKit
Ring Count	0	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.0	RDKit
Exact Mass	70.93635261 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 = 71.05 g/mol; density = 2.510 g/mL. Edit any field — others recompute live.

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