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1317-70-0 molecular structure
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titanium(4+) ion dioxidandiide

ChemBase ID: 302767
Molecular Formular: O2Ti
Molecular Mass: 79.8658
Monoisotopic Mass: 79.93777554
SMILES and InChIs

SMILES:
[O-2].[O-2].[Ti+4]
Canonical SMILES:
[O-2].[O-2].[Ti+4]
InChI:
InChI=1S/2O.Ti/q2*-2;+4
InChIKey:
SOQBVABWOPYFQZ-UHFFFAOYSA-N

Cite this record

CBID:302767 http://www.chembase.cn/molecule-302767.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
titanium(4+) ion dioxidandiide
IUPAC Traditional name
titanium(4+) ion dioxidandiide
Synonyms
Titanium(IV) oxide, rutile, single crystal
Titanium(IV) oxide, anatase
Titanium(IV) oxide, rutile
Titanium(IV) oxide, Puratronic®
Titanic oxide
Titanium(IV) oxide, high surface area
Titanium(IV) oxide, naturally occurring mineral, grains, approximately 0.06-0.19in
二氧化钛(IV), 金红石, 单晶
二氧化钛(IV), 锐钛矿
二氧化钛(IV),金红石
二氧化钛(IV), Puratronic®
二氧化钛(IV),高比表面积
二氧化钛(IV), 金红石
氧化钛(IV), 天然矿物, 晶粒, 大约 0.06-0.19in
CAS Number
1317-70-0
13463-67-7
1317-80-2
EC Number
215-280-1
215-282-2
236-675-5
MDL Number
MFCD00011269
Merck Index
149472

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.7  H Acceptors
H Donor LogD (pH = 5.5) -0.652 
LogD (pH = 7.4) -0.652  Log P -0.652 
Molar Refractivity 13.1149 cm3 Polarizability 1.8190874 Å3
Polar Surface Area 0.0 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Insoluble in water, HCl, HNO3, dilute H2SO4; soluble in hot, conc. H2SO4, HF, and alkalies expand Show data source
Apperance
0.5mm thick x 10mm x 10mm expand Show data source
0.9-1.6 Micron APS Powder, S.A. 3.3-6.1 m2/g expand Show data source
1.0-2.0 Micron APS Powder expand Show data source
-22 Mesh Powder expand Show data source
32 nm APS Powder, S.A. 45m2/g expand Show data source
-325 Mesh Powder expand Show data source
-325 Mesh Powder, S.A. 180-300 m2/g expand Show data source
3-6mm Sintered Pieces expand Show data source
Grains expand Show data source
White powder expand Show data source
Melting Point
1830-1850°C expand Show data source
Boiling Point
2500-3000°C expand Show data source
Density
3.9 expand Show data source
4.23 expand Show data source
4.26 expand Show data source
Refractive Index
2.61 expand Show data source
RTECS
BV6550000 expand Show data source
XR2275000 expand Show data source
European Hazard Symbols
X expand Show data source
Risk Statements
40 expand Show data source
Safety Statements
36/37 expand Show data source
36/37-60 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS08 expand Show data source
GHS Hazard statements
H351 expand Show data source
GHS Precautionary statements
P281-P201-P202-P308+P313-P405-P501A expand Show data source
Purity
99.5% min (metals basis) expand Show data source
99.6% (metals basis) expand Show data source
99.8% (metals basis) expand Show data source
99.9% (metals basis) expand Show data source
99.99% (metals basis) expand Show data source
99.995% (metals basis) expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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