1,2-dibora-3-titanacycloprop-1-ene

• ChemBase ID: 302818
• Molecular Formular: B2H2Ti
• Molecular Mass: 71.50488
• Monoisotopic Mass: 71.98220716
• SMILES: [BH]1=[BH][Ti]1
• Canonical SMILES: [BH]1=[BH][Ti]1
• InChI: InChI=1S/B2.Ti/c1-2;/q+2;-2
• InChIKey: DABDIPMSSXAHHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dibora-3-titanacycloprop-1-ene
• IUPAC Traditional name: 1,2-dibora-3-titanacycloprop-1-ene
• Synonyms: Titanium diboride; Titanium boride; 硼化钛

Database IDs

• CAS Number: 12045-63-5
• EC Number: 234-961-4
• MDL Number: MFCD00049595

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

• Solubility: Soluble in hydrogen peroxide and sulfuric acid
• Apperance: -325 Mesh Powder
• Melting Point: 3225°C
• Density: 4.38

Safety Information

• TSCA Listed: 是