Titanium Hydride

CAS: 7704-98-5 · H2Ti

2D Structure

Loading 3D structure...

CAS Registry Number

7704-98-5

SMILES

[H].[H].[Ti]

InChI Key

COEYXIBLSAIEKV-UHFFFAOYSA-N

InChI

InChI=1S/Ti.2H

Comprehensive physical and chemical properties

Property	Value	Source
Wikipedia Url	https://en.wikipedia.org/wiki/Titanium_hydride	CAS Common Chemistry
Canonical SMILES	[TiH2]	CAS Common Chemistry
InChI	InChI=1S/Ti.2H	CAS Common Chemistry
InChI Key	InChIKey=COEYXIBLSAIEKV-UHFFFAOYSA-N	CAS Common Chemistry
Name	Titanium hydride (TiH2)	CAS Common Chemistry
	Titanium hydride	CAS Common Chemistry
Molecular Mass	49.882999999999996 g/mol	RDKit
	49.963596364 g/mol	RDKit
	49.883 g/mol	RDKit
	51.899 g/mol	chempirical lib
Heavy Atom Count	1	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	0.2225	RDKit
Molar Refractivity	2.224 cm³/mol	RDKit
Ring Count	0	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.0	RDKit
Exact Mass	49.88 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 = 49.88 g/mol. Edit any field — others recompute live.

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