tetrabromotitanium

• ChemBase ID: 129926
• Molecular Formular: Br4Ti
• Molecular Mass: 367.483
• Monoisotopic Mass: 363.6212943
• SMILES: [Ti](Br)(Br)(Br)Br
• Canonical SMILES: Br[Ti](Br)(Br)Br
• InChI: InChI=1S/4BrH.Ti/h4*1H;/q;;;;+4/p-4
• InChIKey: UBZYKBZMAMTNKW-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrabromotitanium
• IUPAC Traditional name: titanium tetrabromide
• Synonyms: Titanium tetrabromide; Titanium(IV) bromide; Titanium(IV) bromide; Titanium tetrabromide; 四溴化钛; 溴化钛(IV)

Database IDs

• CAS Number: 7789-68-6
• EC Number: 232-185-0
• MDL Number: MFCD00011265
• PubChem SID: 24868637; 24858626; 162224212
• PubChem CID: 123263
• Wikipedia Title: Titanium_tetrabromide

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.7404
• LogD (pH = 7.4): 3.7404
• Log P: 3.7404
• Molar Refractivity: 34.9408 cm^3
• Polarizability: 17.047464 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: chlorocarbons, benzene; decomposition in water
• Apperance: brown crystals ; hygroscopic; powder
• Melting Point: 38-40 °C(lit.); 39 °C
• Boiling Point: 230 °C; 230 °C(lit.)
• Flash Point: nonflammable
• Density: 3.25 g/cm^3; 3.25 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3260
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 14-34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• Main Hazard: corrosive
• NFPA704:
  

  0

  3

  1
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• 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
• RID/ADR: UN 3260 8/PG 2

Product Information

• Purity: 98%; 99.99% trace metals basis
• Grade: anhydrous
• Linear Formula: TiBr4

DETAILS

Sigma Aldrich - 307793

Features and Benefits
Used for the formation of titanium silicide thin films on Si substrates.1
Packaging
25, 100 g in glass bottle

Sigma Aldrich - 451606

Features and Benefits
Used for the formation of titanium silicide thin films on Si substrates.1
Packaging
1, 5 g in ampule