(boranylidynetitaniumylidyne)borane

• ChemBase ID: 111348
• Molecular Formular: B2H4Ti
• Molecular Mass: 73.52076
• Monoisotopic Mass: 73.99785723
• SMILES: [BH2]#[Ti]#[BH2]
• Canonical SMILES: [BH2]#[Ti]#[BH2]
• InChI: InChI=1S/2B.Ti
• InChIKey: QYEXBYZXHDUPRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (boranylidynetitaniumylidyne)borane
• IUPAC Traditional name: (boranylidynetitaniumylidyne)borane
• Synonyms: TITANIUM BORIDE; Titanium boride; Titanium diboride; 硼化钛

Database IDs

• CAS Number: 12045-63-5
• EC Number: 234-961-4
• MDL Number: MFCD00049595
• PubChem SID: 24860372; 162096605
• PubChem CID: 0

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.2
• LogD (pH = 7.4): 2.2
• Log P: 2.2
• Molar Refractivity: 0.0 cm^3
• Polarizability: 5.9799194 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: -325 Mesh Powder; powder
• Melting Point: 3225°C
• Density: 4.38; 4.52 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Flammable (F); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22; R:17
• Safety Statements: 36; S:29
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H332
• GHS Precautionary statements: P280
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 99.5% (metals basis)
• Particle Size: <10 μm
• Linear Formula: TiB2

DETAILS

MP Biomedicals - 05218754

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 336289

Packaging
50 g in glass bottle