trichlorotitanium

• ChemBase ID: 129931
• Molecular Formular: Cl3Ti
• Molecular Mass: 154.226
• Monoisotopic Mass: 152.85450434
• 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

NAMES AND DATABASE IDS

Names

• 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

Database IDs

• CAS Number: 7705-07-9
• EC Number: 231-728-9
• MDL Number: MFCD00011266
• PubChem SID: 24873756; 162224217; 24853202; 24848453; 24883265; 24855027
• PubChem CID: 62646
• Chemspider ID: 56398
• Wikipedia Title: Titanium(III)_chloride

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.9035
• LogD (pH = 7.4): 1.9035
• Log P: 1.9035
• Molar Refractivity: 18.4089 cm^3
• Polarizability: 9.8386755 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: soluble in acetone, acetonitrile, certain amines; ; insoluble in ether and hydrocarbons; very soluble in water
• Apperance: crystalline; powder; red-violet crystals ; hygroscopic; solution
• Melting Point: 425 °C (decomposes); 440 °C (dec.)(lit.)
• Boiling Point: 960 °C
• Density: 1.192 g/mL at 25 °C; 2.64 g/cm^3
• Refractive Index: 1.4856

Safety Information

• RTECS: XR1924000
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2441; 3264
• German water hazard class: 3
• Hazard Class: 4.2; 8
• Packing Group: 1; 2
• Risk Statements: 14-17-34; 14-17-34-37; 34-37
• Safety Statements: 26-36/37/39-45; 6-26-30-36/37/39-43-45
• EU Index: Not listed
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• Main Hazard: Corrosive
• GHS Hazard statements: H250-H314; H250-H314-H335; H314-H335
• GHS Precautionary statements: P222-P231-P261-P280-P305 + P351 + P338-P422; P222-P231-P280-P305 + P351 + P338-P310-P422; P261-P280-P305 + P351 + P338-P310; P261-P280-P305 + P351 + P338-P422
• 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; Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2441 4.2/PG 1; UN 3264 8/PG 2
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: ≥12% TiCl3 basis; ≥99.99%; ≥99.995% trace metals basis
• Concentration: ~10 wt. % in 20-30 wt. % hydrochloric acid; ≥20.0%; 12% in hydrochloric acid
• Grade: hydrogen-storage grade; JIS special grade; ReagentPlus®
• Impurities: 5-10% free acid (as HCl)
• Linear Formula: TiCl3

DETAILS

Sigma Aldrich - 249998

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

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

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

Application
For use in CDC approved procedures.
Other Notes
Exact concentration stated on label

Sigma Aldrich - 514381

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

Application
Catalyst for hydrogen desorption1 and nitrogen-nitrogen bond cleavage2Reagent for photocatalyst synthesis3Precursor for preparation of nanostructures for nanoskeletons4