Boron Triiodide

CAS: 13517-10-7 · BI3

2D Structure

Loading 3D structure...

CAS Registry Number

13517-10-7

SMILES

IB(I)I

InChI Key

YMEKEHSRPZAOGO-UHFFFAOYSA-N

InChI

InChI=1S/BI3/c2-1(3)4

Comprehensive physical and chemical properties

Property	Value	Source
Wikipedia Url	https://en.wikipedia.org/wiki/Boron_triiodide	CAS Common Chemistry
Canonical SMILES	IB(I)I	CAS Common Chemistry
InChI	InChI=1S/BI3/c2-1(3)4	CAS Common Chemistry
InChI Key	InChIKey=YMEKEHSRPZAOGO-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	2593 °C	CAS Common Chemistry
Name	Boron triiodide	CAS Common Chemistry
Molecular Mass	391.524 g/mol	RDKit
	391.7227244 g/mol	RDKit
	391.522 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	2.2763	RDKit
Molar Refractivity	47.81399999999999 cm³/mol	RDKit
Ring Count	0	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.0	RDKit
Exact Mass	391.52 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 = 391.52 g/mol. Edit any field — others recompute live.

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