2,3,4-trisila-1,5,6,7,8-pentatitanaheptacyclo[3.3.0.01,4.02,4.02,8.03,6.03,7]octane

• ChemBase ID: 302940
• Molecular Formular: Si3Ti5
• Molecular Mass: 323.5915
• Monoisotopic Mass: 323.6705111
• SMILES: [Ti]12[Ti]3[Si]41[Si]15[Ti]2[Ti]21[Ti]3[Si]452
• Canonical SMILES: [Ti]12[Ti]3[Si]42[Si]25[Ti]1[Ti]12[Ti]3[Si]451
• InChI: InChI=1S/Si3.5Ti/c1-2-3-1
• InChIKey: NNWQGTUHWMIVCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,4-trisila-1,5,6,7,8-pentatitanaheptacyclo[3.3.0.0^1,^4.0^2,^4.0^2,^8.0^3,^6.0^3,^7]octane
• IUPAC Traditional name: 2,3,4-trisila-1,5,6,7,8-pentatitanaheptacyclo[3.3.0.0^1,^4.0^2,^4.0^2,^8.0^3,^6.0^3,^7]octane
• Synonyms: Titanium silicide; 硅化钛

Database IDs

• CAS Number: 12067-57-1
• EC Number: 235-082-9
• MDL Number: MFCD01310208

CALCULATED PROPERTIES

• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -1.368
• LogD (pH = 7.4): -1.368
• Log P: -1.368
• Molar Refractivity: 0.0 cm^3
• Polarizability: 21.221676 Å^3
• Polar Surface Area: 0.0 Å^2

PROPERTIES

Physical Property

• Apperance: -325 Mesh Powder
• Melting Point: 2130°C

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: UN3178
• Hazard Class: 4.1
• Packing Group: III
• Risk Statements: 11-36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H228-H315-H319-H335
• GHS Precautionary statements: P210-P241-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 99.5% (metals basis)