Aluminium Iodide

CAS: 7784-23-8 · AlI3

2D Structure

Loading 3D structure...

CAS Registry Number

7784-23-8

SMILES

[Al+3].[I-].[I-].[I-]

InChI Key

CECABOMBVQNBEC-UHFFFAOYSA-K

InChI

InChI=1S/Al.3HI/h;3*1H/q+3;;;/p-3

Comprehensive physical and chemical properties

Property	Value	Source
Density	3.98 g/cm³	CAS Common Chemistry
	3.98 g/cm3 @ 25 °C	CAS Common Chemistry
Wikipedia Url	https://en.wikipedia.org/wiki/Aluminium_iodide	CAS Common Chemistry
Boiling Point	386 °C	CAS Common Chemistry
Canonical SMILES	I[Al](I)I	CAS Common Chemistry
InChI	InChI=1S/Al.3HI/h;3*1H/q+3;;;/p-3	CAS Common Chemistry
InChI Key	InChIKey=CECABOMBVQNBEC-UHFFFAOYSA-K	CAS Common Chemistry
Melting Point	179.5 °C	CAS Common Chemistry
Name	Aluminum iodide	CAS Common Chemistry
	Aluminium iodide	CAS Common Chemistry
Molecular Mass	407.69399999999996 g/mol	RDKit
	407.69495763000003 g/mol	RDKit
	407.694 g/mol	RDKit
	413.742 g/mol	chempirical lib
Heavy Atom Count	4	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	-9.3688	RDKit
Molar Refractivity	5.754 cm³/mol	RDKit
Ring Count	0	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.0	RDKit
Exact Mass	407.69 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 = 407.69 g/mol; density = 3.980 g/mL. Edit any field — others recompute live.

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