Zirconium(Iv) Chloride

CAS: 10026-11-6 · Cl4Zr

2D Structure

Loading 3D structure...

CAS Registry Number

10026-11-6

SMILES

[Cl-].[Cl-].[Cl-].[Cl-].[Zr+4]

InChI Key

DUNKXUFBGCUVQW-UHFFFAOYSA-J

InChI

InChI=1S/4ClH.Zr/h4*1H;/q;;;;+4/p-4

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	233.04 g/mol	CAS Common Chemistry
	233.036 g/mol	RDKit
	241.088 g/mol	chempirical lib
Density	2.80 g/cm³	CAS Common Chemistry
	2.803 g/cm3 @ 15 °C	CAS Common Chemistry
Wikipedia Url	https://en.wikipedia.org/wiki/Zirconium(IV)_chloride	CAS Common Chemistry
Boiling Point	331 °C	CAS Common Chemistry
Canonical SMILES	Cl[Zr](Cl)(Cl)Cl	CAS Common Chemistry
InChI	InChI=1S/4ClH.Zr/h4*1H;/q;;;;+4/p-4	CAS Common Chemistry
InChI Key	InChIKey=DUNKXUFBGCUVQW-UHFFFAOYSA-J	CAS Common Chemistry
Melting Point	436 °C	CAS Common Chemistry
Name	Zirconium chloride (ZrCl4)	CAS Common Chemistry
	Zirconium(IV) chloride	CAS Common Chemistry
Heavy Atom Count	5	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	-11.9865	RDKit
Molar Refractivity	0.0 cm³/mol	RDKit
Ring Count	0	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.0	RDKit
Exact Mass	229.78011512 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 = 233.04 g/mol; density = 2.800 g/mL. Edit any field — others recompute live.

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