tetrachlorotitanium

• ChemBase ID: 129927
• Molecular Formular: Cl4Ti
• Molecular Mass: 189.679
• Monoisotopic Mass: 187.82335702
• SMILES: Cl[Ti](Cl)(Cl)Cl
• Canonical SMILES: Cl[Ti](Cl)(Cl)Cl
• InChI: InChI=1S/4ClH.Ti/h4*1H;/q;;;;+4/p-4
• InChIKey: XJDNKRIXUMDJCW-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrachlorotitanium
• IUPAC Systematic name: Tetrachlorotitanium
• IUPAC Traditional name: titanium tetrachloride
• Synonyms: Titanium(IV) chloride solution; Titanium(IV) chloride; TTC; Titanium tetrachloride; Titanium tetrachloride; Titanium(IV) chloride solution; Titanium atomic spectroscopy standard concentrate 1.00 g Ti; Titanium(IV) chloride; Titanium tetrachloride; 四氯化钛(IV) 溶液; 四氯化钛(IV); 四氯化钛(IV); 四氯化钛; 四氯化钛; 四氯化钛(IV) 溶液; 钛原子光谱分析标准浓缩液 1.00g Ti

Database IDs

• CAS Number: 7550-45-0
• EC Number: 231-441-9; 231-444-5
• MDL Number: MFCD00011267
• PubChem SID: 24865284; 24845596; 24861342; 24855018; 162224213; 24855375; 24852522
• PubChem CID: 24193
• Chemspider ID: 22615
• MeSH Name: Titanium+tetrachloride
• Wikipedia Title: Titanium_tetrachloride

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.538
• LogD (pH = 7.4): 2.538
• Log P: 2.538
• Molar Refractivity: 24.5452 cm^3
• Polarizability: 12.1715975 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble; Reacts in water; soluble in ethanol, HCl
• Apperance: Colourless liquid; liquid
• Melting Point: -24.1°C; -25 °C(lit.)
• Boiling Point: 135-136 °C(lit.); 136.4 °C; 136.4°C
• Flash Point: 46.4 °F; 8 °C
• Density: 0.96 g/mL at 20 °C; 0.964 g/mL at 25 °C; 1.099 g/mL at 25 °C; 1.10 g/mL at 20 °C; 1.365 g/mL at 25 °C; 1.37 g/mL at 20 °C; 1.726 g/cm^3; 1.73 g/mL at 20 °C(lit.)
• Refractive Index: 1.61 (10.5 °C)
• Vapor Pressure: 1.3 kPa (20 °C); 24.09 psi ( 55 °C); 50 mmHg ( 55 °C); 6.93 psi ( 20 °C); 9.6 mmHg ( 20 °C)
• Viscosity: 827 μPa s
• Odor: penetrating acid odor
• Std enthalpy of formation: -763 kJ·mol^-1
• Std molar entropy: 355 J·mol^-1·K^-1

Safety Information

• RTECS: XR1925000
• European Hazard Symbols: Corrosive (C); Flammable (F); Irritant (Xi)
• UN Number: 1789; 1838; 2922; 3286; 3289
• German water hazard class: 1; 2
• Hazard Class: 3; 6.1; 8
• Packing Group: 2
• Risk Statements: 14-34; 14-34-40; 34-37; 36/37/38; 63-11-14-34-48/20-65-67; R14, R34
• Safety Statements: 16-26-36/37/39-45-62; 26; 26-36/37/39-45; 7/8-26-36/37/39-45; S1/2, S7/8, S26, S30, S36/37/39, S45
• EU Index: 022-001-00-5
• GHS Pictograms: GHS02; GHS05; GHS07; GHS08
• GHS Signal Word: Danger
• NFPA704:
  

  0

  3

  2

  W
• GHS Hazard statements: H225-H304-H314-H336-H361d-H373; H314; H314-H335; H314-H351
• GHS Precautionary statements: P210-P261-P280-P301 + P310-P305 + P351 + P338-P310; P261-P280-P305 + P351 + P338-P310; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1789 8/PG 2; UN 1838 8/PG 2; UN 2922 8/PG 2; UN 3286 3/PG 2; UN 3289 6.1/PG 2
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: ≥97.0%; ≥98.0% (AT); ≥99.0% (AT); ≥99.995% trace metals basis; 99.9% trace metals basis
• Concentration: ~0.1 M in 20% HCl; ~1.0 M in methylene chloride; ~1.0 M in toluene; 0.09 M in 20% HCl; 1.0 M in methylene chloride; 1.0 M in toluene; 1.00 g/L
• Grade: puriss.; purum; ReagentPlus®; SAJ first grade; technical
• Shelf Life: (limited shelf life, expiry date on the label)
• Quality Level: PREMIUM
• Quality: ampule
• Linear Formula: TiCl4

DETAILS

Sigma Aldrich - 697079

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
General description
Atomic number of base material: 22 Titanium
Packaging
25 g in ss cylinder

Sigma Aldrich - 03796

Preparation Note
prepared with TiCl4, HCl and H2O
Reconstitution
Dilute the ampule to approx. 850 mL with water. Carefully add 100 mL conc. HCl to acidify. Bring to volume with water.

Sigma Aldrich - 254312

Packaging
10, 50 g in glass bottle
Application
Activates pyrrolidines for improved conversion, via a modified Bouveault reaction, to the corresponding α,α-dimethylamines.1
Promotes a highly selective aldol reaction of (S)-2-benzyloxy-3-pentanone in THF or DME.

Sigma Aldrich - 404985

Packaging
100, 800 mL in Sure/Seal™
Application
Reagent for the detection of peroxides in ethyl ether.1 Activates pyrrolidines for improved conversion, via a modified Bouveault reaction, to the corresponding α,α-dimethylamines.2

Sigma Aldrich - 345695

Application
Activates pyrrolidines for improved conversion, via a modified Bouveault reaction, to the corresponding α,α-dimethylamines.1
Packaging
100, 800 mL in Sure/Seal™

Sigma Aldrich - 89545

Other Notes
Review1

Sigma Aldrich - 249866

Packaging
100, 800 mL in Sure/Seal™
Application
Activates pyrrolidines for improved conversion, via a modified Bouveault reaction, to the corresponding α,α-dimethylamines.1

Sigma Aldrich - 208566

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Application
Activates pyrrolidines for improved conversion, via a modified Bouveault reaction, to the corresponding α,α-dimethylamines.1
Packaging
1.5 kg in Sure/Seal™
200 g in Sure/Seal™
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC