dititanium(3+) ion trisulfate

• ChemBase ID: 148802
• Molecular Formular: O12S3Ti2
• Molecular Mass: 383.9218
• Monoisotopic Mass: 383.75108104
• SMILES: [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Ti+3].[Ti+3]
• Canonical SMILES: [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Ti+3].[Ti+3]
• InChI: InChI=1S/3H2O4S.2Ti/c3*1-5(2,3)4;;/h3*(H2,1,2,3,4);;/q;;;2*+3/p-6
• InChIKey: SOBXOQKKUVQETK-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: dititanium(3+) ion trisulfate
• IUPAC Traditional name: dititanium(3+) ion trisulfate
• Synonyms: Titanium(III) sulfate solution; Titanium sesquisulfate; Titanium(III) sulfate; 硫酸钛 溶液; 硫酸钛 溶液; 硫酸亚钛标准品 溶液; 硫酸亚钛(III)

Database IDs

• CAS Number: 19495-80-8; 10343-61-0
• MDL Number: MFCD00036317
• Merck Index: 149476
• PubChem SID: 24872957; 162242976
• PubChem CID: 165866

CALCULATED PROPERTIES

• Acid pKa: -3.034349
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -5.569452
• LogD (pH = 7.4): -5.594027
• Log P: -0.841552
• Molar Refractivity: 11.5274 cm^3
• Polarizability: 6.037845 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Density: 1.15; 1.456 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Irritant (Xi)
• UN Number: 1830; 2796; UN3264
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; III
• Risk Statements: 34; 35; 36/38
• Safety Statements: 26; 26-30-45; 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger; Warning
• GHS Hazard statements: H314; H314-H318; H315-H319
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P280-P305 + P351 + P338-P310; P305 + P351 + P338
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1830 8/PG 2; UN 2796 8/PG 2

Product Information

• Purity: ≥99.9% trace metals basis; 20% in 1-4% sulfuric acid
• Concentration: ~0.1 M; ~45 wt. % in dilute sulfuric acid; 0.12 M±0.012 M in H2O
• Impurities: 0.07 g/mL Sulfuric acid; Titanium(III) sulfate
• Shelf Life: (limited shelf life)
• Quality: volumetric
• Linear Formula: Ti2(SO4)3

DETAILS

Sigma Aldrich - 495182

Features and Benefits
Used for the synthesis and crystal structure studies of new acid titanium sulfates such as Ti(H5O2)(SO4)2(H2O)2.1
Packaging
100 mL in glass bottle

Sigma Aldrich - 72338

Features and Benefits
Used for the synthesis and crystal structure studies of new acid titanium sulfates such as Ti(H5O2)(SO4)2(H2O)2.1
General description
Visit our Titration Center to learn more.