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7705-07-9 molecular structure
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trichlorotitanium

ChemBase ID: 129931
Molecular Formular: Cl3Ti
Molecular Mass: 154.226
Monoisotopic Mass: 152.85450434
SMILES and InChIs

SMILES:
Cl[Ti](Cl)Cl
Canonical SMILES:
Cl[Ti](Cl)Cl
InChI:
InChI=1S/3ClH.Ti/h3*1H;/q;;;+3/p-3
InChIKey:
YONPGGFAJWQGJC-UHFFFAOYSA-K

Cite this record

CBID:129931 http://www.chembase.cn/molecule-129931.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
trichlorotitanium
IUPAC Traditional name
titanium(III) chloride
Synonyms
Titanium(III) chloride
Titanium(III) chloride solution
titanium trichloride
titanous chloride
Titanium(III) chloride
三氯化钛
氯化钛(III)
氯化钛(III) 溶液
CAS Number
7705-07-9
EC Number
231-728-9
MDL Number
MFCD00011266
PubChem SID
24853202
162224217
24873756
24848453
24883265
24855027
PubChem CID
62646
Chemspider ID
56398
Wikipedia Title
Titanium(III)_chloride

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9035  LogD (pH = 7.4) 1.9035 
Log P 1.9035  Molar Refractivity 18.4089 cm3
Polarizability 9.8386755 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
soluble in acetone, acetonitrile, certain amines;
insoluble in ether and hydrocarbons
expand Show data source
very soluble in water expand Show data source
Apperance
crystalline expand Show data source
powder expand Show data source
red-violet crystals
hygroscopic
expand Show data source
solution expand Show data source
Melting Point
425 °C (decomposes) expand Show data source
440 °C (dec.)(lit.) expand Show data source
Boiling Point
960 °C expand Show data source
Density
1.192 g/mL at 25 °C expand Show data source
2.64 g/cm3 expand Show data source
Refractive Index
1.4856 expand Show data source
RTECS
XR1924000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
UN Number
2441 expand Show data source
3264 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
4.2 expand Show data source
8 expand Show data source
Packing Group
1 expand Show data source
2 expand Show data source
Risk Statements
14-17-34 expand Show data source
14-17-34-37 expand Show data source
34-37 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
6-26-30-36/37/39-43-45 expand Show data source
EU Index
Not listed expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
Main Hazard
Corrosive expand Show data source
GHS Hazard statements
H250-H314 expand Show data source
H250-H314-H335 expand Show data source
H314-H335 expand Show data source
GHS Precautionary statements
P222-P231-P261-P280-P305 + P351 + P338-P422 expand Show data source
P222-P231-P280-P305 + P351 + P338-P310-P422 expand Show data source
P261-P280-P305 + P351 + P338-P310 expand Show data source
P261-P280-P305 + P351 + P338-P422 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2441 4.2/PG 1 expand Show data source
UN 3264 8/PG 2 expand Show data source
Supplemental Hazard Statements
Reacts violently with water. expand Show data source
Purity
≥12% TiCl3 basis expand Show data source
≥99.99% expand Show data source
≥99.995% trace metals basis expand Show data source
Concentration
~10 wt. % in 20-30 wt. % hydrochloric acid expand Show data source
≥20.0% expand Show data source
12% in hydrochloric acid expand Show data source
Grade
hydrogen-storage grade expand Show data source
JIS special grade expand Show data source
ReagentPlus® expand Show data source
Impurities
5-10% free acid (as HCl) expand Show data source
Linear Formula
TiCl3 expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 249998 external link
Other Notes
Exact concentration stated on label
Packaging
25, 500 mL in glass bottle
Application
Catalyst for: Hydrogen desorption properties1 Nitrogen-nitrogen reductive bond cleavage2Reagent for: Photocatalyst synthesis3 Preparation of nanostructures titania/cetyltrimethyammonium bromide nanoskeleton4
Sigma Aldrich - 220973 external link
Application
Used for the vapor-phase formation of intermetallic compounds with ultrafine particle size.1
Used with tert-butylhydroperoxide in an alcoholic solvent to promote the reductive coupling of aryl aldehydes to 1,2-diols.Catalyst for: hydrogen desorption properties Nitrogen-nitrogen reductive bond cleavageReagent for photocatalyst synthesisPrecursor for the preparation of nanostructures titania/cetyltrimethyammonium bromide nanoskeletons
Packaging
5, 25 g in glass bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC
Sigma Aldrich - 686085 external link
Analysis Note
XRD plots and metal purity data are available upon request.
Application
Used for the vapor-phase formation of intermetallic compounds with ultrafine particle size.1
Packaging
1 g in glass bottle
Sigma Aldrich - 643394 external link
Application
For use in CDC approved procedures.
Other Notes
Exact concentration stated on label
Sigma Aldrich - 514381 external link
Application
Used for the vapor-phase formation of intermetallic compounds with ultrafine particle size.1
Packaging
1, 5 g in glass bottle
Sigma Aldrich - 14010 external link
Application
Catalyst for hydrogen desorption1 and nitrogen-nitrogen bond cleavage2Reagent for photocatalyst synthesis3Precursor for preparation of nanostructures for nanoskeletons4

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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