calcium disilyne

• ChemBase ID: 137911
• Molecular Formular: CaSi2
• Molecular Mass: 96.249
• Monoisotopic Mass: 95.91644404
• SMILES: [Si-]#[Si-].[Ca+2]
• Canonical SMILES: [Si-]#[Si-].[Ca+2]
• InChI: InChI=1S/Ca.Si2/c;1-2/q+2;-2
• InChIKey: ATJCUTDHOFKCKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: calcium disilyne
• IUPAC Traditional name: calcium disilicide(1-)
• Synonyms: Calcium silicide; 硅化钙

Database IDs

• CAS Number: 12013-56-8
• EC Number: 234-588-7
• MDL Number: MFCD00015977
• PubChem SID: 24852732

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.09
• LogD (pH = 7.4): 0.09
• Log P: 0.09
• Molar Refractivity: 0.0 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: pieces; powder

Safety Information

• European Hazard Symbols: Flammable (F)
• UN Number: 1405
• German water hazard class: 3
• Hazard Class: 4.3
• Packing Group: 2
• Risk Statements: 15
• Safety Statements: 8-43
• GHS Pictograms: GHS02
• GHS Signal Word: Danger
• GHS Hazard statements: H261
• GHS Precautionary statements: P231 + P232-P422
• Personal Protective Equipment: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1405 4.3/PG 2

Product Information

• Grade: technical
• Compostion: Ca, 30-33%; Si, 60-62%
• Linear Formula: CaSi2