Titanium Tetraiodide

CAS: 7720-83-4 · I4Ti

2D Structure

Loading 3D structure...

CAS Registry Number

7720-83-4

SMILES

[I-].[I-].[I-].[I-].[Ti+4]

InChI Key

NLLZTRMHNHVXJJ-UHFFFAOYSA-J

InChI

InChI=1S/4HI.Ti/h4*1H;/q;;;;+4/p-4

Comprehensive physical and chemical properties

Property	Value	Source
Wikipedia Url	https://en.wikipedia.org/wiki/Titanium_tetraiodide	CAS Common Chemistry
Boiling Point	379 °C	CAS Common Chemistry
Canonical SMILES	I[Ti](I)(I)I	CAS Common Chemistry
InChI	InChI=1S/4HI.Ti/h4*1H;/q;;;;+4/p-4	CAS Common Chemistry
InChI Key	InChIKey=NLLZTRMHNHVXJJ-UHFFFAOYSA-J	CAS Common Chemistry
Melting Point	150 °C	CAS Common Chemistry
Name	Titanium iodide (TiI4), (T-4)-	CAS Common Chemistry
Molecular Mass	555.483 g/mol	RDKit
	555.5658383 g/mol	RDKit
	561.531 g/mol	chempirical lib
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	555.48 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 = 555.48 g/mol. Edit any field — others recompute live.

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