zirconium(4+) ion methanetetraide

• ChemBase ID: 303201
• Molecular Formular: CZr
• Molecular Mass: 103.2347
• Monoisotopic Mass: 101.904704
• SMILES: [CH4-4].[Zr+4]
• Canonical SMILES: [CH4-4].[Zr+4]
• InChI: InChI=1S/C.Zr/q-4;+4
• InChIKey: MVPNFFJJBXMGAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: zirconium(4+) ion methanetetraide
• IUPAC Traditional name: zirconium(4+) ion methanetetraide
• Synonyms: Zirconium carbide; 碳化锆

Database IDs

• CAS Number: 12070-14-3
• EC Number: 235-125-1
• MDL Number: MFCD00049640

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.0
• LogD (pH = 7.4): 0.0
• Log P: 1.080923
• Molar Refractivity: 13.1149 cm^3
• Polarizability: 1.7254916 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
• Melting Point: 3540°C
• Density: 6.73

Safety Information

• European Hazard Symbols: Flammable (F)
• UN Number: UN3178
• Hazard Class: 4.1
• Packing Group: III
• Risk Statements: 11
• Safety Statements: 7-33-43-60
• TSCA Listed: 是
• GHS Pictograms: GHS02
• GHS Hazard statements: H228
• GHS Precautionary statements: P210-P241-P280-P240-P370+P378A

Product Information

• Purity: 99.5% (metals basis excluding Hf), Hf< 200ppm