Anatase (TiO2)

O₂TiCAS 1317-70-079.86 g/mol

Open in Covalent MOL file

Properties

Molecular formula: O₂Ti
Molar mass: 79.86 g/mol
Exact mass: 79.9378 Da
Density: 3.9 g/mL
Water solubility: < 1 g/L (20 °C)
logP: -0.24Crippen estimate
Polar surface area: 57.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H351 Suspected of causing cancerCarcinogenicity

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P203, P280, P318, P405, P501

Identifiers

CAS number

1317-70-0

SMILES

[O].[O].[Ti]

InChIKey

GWEVSGVZZGPLCZ-UHFFFAOYSA-N

InChI

InChI=1S/2O.Ti

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

28 names · show all

Anatase
Octahedrite (mineral)
NT 100
NT 100 (oxide)
Octahedrite
S 150
S 150 (Oxide)
Kronos 1002
MC 50
MC 50 (oxide)
TKC 304
Raionaito PC 541S
T 0240
BA 01
PTA 120
TKSP 203
XD-A 06
A-PP 2
RX 237
TLA 100
VK-T 32
S 30 (Filler)
BLR 200
EFUT-Y 01S
T 19841-100
CHA 120
BA 01-4
Titanium dioxide

Work with Anatase (TiO2)

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Titanium dioxide13463-67-7 Rutile (TiO2)1317-80-2

Similar compounds

Titanium(II) oxide12137-20-1100 % similar Magnesium titanate (MgTiO3)12032-30-367 % similar Titanium7440-32-650 % similar Titanium hydride7704-98-550 % similar Heavy water7789-20-050 % similar Aluminum dioxide11092-32-333 % similar Actinium(III) oxide12002-61-833 % similar Americium dioxide12005-67-333 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook