dichlorotitanium

• ChemBase ID: 129930
• Molecular Formular: Cl2Ti
• Molecular Mass: 118.773
• Monoisotopic Mass: 117.88565166
• SMILES: [Ti](Cl)Cl
• Canonical SMILES: Cl[Ti]Cl
• InChI: InChI=1S/2ClH.Ti/h2*1H;/q;;+2/p-2
• InChIKey: ZWYDDDAMNQQZHD-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dichlorotitanium
• IUPAC Traditional name: dichlorotitanium
• Synonyms: Titanium(II) chloride; Titanium(II) chloride; 氯化钛(II)

Database IDs

• CAS Number: 10049-06-6
• EC Number: 233-164-9
• MDL Number: MFCD00054968
• PubChem SID: 24868648; 162224216
• PubChem CID: 66228
• Chemspider ID: 8466246
• Wikipedia Title: Titanium(II)_chloride

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.269
• LogD (pH = 7.4): 1.269
• Log P: 1.269
• Molar Refractivity: 12.2726 cm^3
• Polarizability: 7.5113597 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: black hexagonal crystals; powder
• Melting Point: 1035°C
• Boiling Point: 1500°C
• Density: 3.13 g/cm^3

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F); Harmful (Xn)
• UN Number: 3200
• German water hazard class: 3
• Hazard Class: 4.2
• Packing Group: 1
• Risk Statements: 14/15-17-34
• Safety Statements: 16-24-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H250-H314
• GHS Precautionary statements: P222-P231-P280-P305 + P351 + P338-P310-P422
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3200 4.2/PG 1
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: 99.98% trace metals basis
• Grade: anhydrous
• Linear Formula: TiCl2

DETAILS

Sigma Aldrich - 451738

Packaging
1, 5 g in glass bottle