Barium Azide

CAS: 18810-58-7 · BaN6

2D Structure

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CAS Registry Number

18810-58-7

SMILES

[Ba+2].[N]N=[N-].[N]N=[N-]

InChI Key

UUXFWHMUNNXFHD-UHFFFAOYSA-N

InChI

InChI=1S/Ba.2N3/c;2*1-3-2/q+2;2*-1

Comprehensive physical and chemical properties

Property	Value	Source
Wikipedia Url	https://en.wikipedia.org/wiki/Barium_azide	CAS Common Chemistry
Canonical SMILES	[N-]=[N+]=N[Ba]N=[N+]=[N-]	CAS Common Chemistry
InChI	InChI=1S/Ba.2N3/c;21-3-2/q+2;2-1	CAS Common Chemistry
InChI Key	InChIKey=UUXFWHMUNNXFHD-UHFFFAOYSA-N	CAS Common Chemistry
Name	Barium azide (Ba(N3)2)	CAS Common Chemistry
Molecular Mass	221.37000000000003 g/mol	RDKit
	221.92369119999998 g/mol	RDKit
	221.37 g/mol	RDKit
	229.433 g/mol	chempirical lib
Heavy Atom Count	7	RDKit
Hydrogen Bond Acceptors	2	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	0	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	113.91999999999999 Å²	RDKit
	113.92 Å²	RDKit
	124.34 Å²	chempirical lib
LogP	-0.39740000000000014	RDKit
	-0.3974	RDKit
Molar Refractivity	21.595999999999997 cm³/mol	RDKit
Ring Count	0	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.0	RDKit
Exact Mass	221.37 g/mol	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 = 221.37 g/mol. Edit any field — others recompute live.

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