methanidylidynetitaniumylium

• ChemBase ID: 111369
• Molecular Formular: CTi
• Molecular Mass: 59.8777
• Monoisotopic Mass: 59.9479463
• SMILES: [Ti+]#[C-]
• Canonical SMILES: [C-]#[Ti+]
• InChI: InChI=1S/C.Ti/q-1;+1
• InChIKey: YXIVWSJCLXKLJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methanidylidynetitaniumylium
• IUPAC Traditional name: methanidylidynetitaniumylium
• Synonyms: Titanium(IV) carbide; Titanium carbide; TITANIUM CARBIDE; Titanium(IV) carbide; 碳化钛(IV); 碳化钛; 碳化钛(IV)

Database IDs

• CAS Number: 12070-08-5
• EC Number: 235-120-4
• MDL Number: MFCD00011268
• PubChem SID: 162097178; 24882816; 24881540; 24858627
• PubChem CID: 4226345

CALCULATED PROPERTIES

• Acid pKa: 19.802252
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.2114
• LogD (pH = 7.4): 0.2114
• Log P: 0.2114
• Molar Refractivity: 13.1149 cm^3
• Polarizability: 4.490246 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: nanopowder; powder
• Melting Point: 3140 °C(lit.)
• Boiling Point: 4820 °C(lit.)
• Density: 4.930 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Flammable (F)
• German water hazard class: 3
• Risk Statements: R:17
• Safety Statements: S:29
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥99% (Ti); 98%; 98.5%
• Particle Size: <200 nm (TEM); <4 μm; -325 mesh
• Bulk Density: 0.45 g/mL
• Linear Formula: TiC

DETAILS

MP Biomedicals - 05218880

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 636967

Packaging
25, 250 g in glass bottle

Sigma Aldrich - 594849

Packaging
25 g in glass bottle

Sigma Aldrich - 307807

Packaging
100, 500 g in glass bottle