methanidylidyneniobiumylium

• ChemBase ID: 302862
• Molecular Formular: CNb
• Molecular Mass: 104.91708
• Monoisotopic Mass: 104.906378
• SMILES: [C-]#[Nb+]
• Canonical SMILES: [C-]#[Nb+]
• InChI: InChI=1S/C.Nb/q-1;+1
• InChIKey: AADPBXLVMHIYCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methanidylidyneniobiumylium
• IUPAC Traditional name: methanidylidyneniobiumylium
• Synonyms: Niobium carbide; 碳化铌

Database IDs

• CAS Number: 12069-94-2
• EC Number: 235-117-8
• MDL Number: MFCD00016237

CALCULATED PROPERTIES

• Acid pKa: 19.901148
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.2114
• LogD (pH = 7.4): 0.2114
• Log P: 0.2114
• Molar Refractivity: 13.1149 cm^3
• Polarizability: 6.0668883 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: <10 Micron Powder
• Melting Point: 3500°C
• Density: 7.60

Safety Information

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

Product Information

• Purity: 99+% (metals basis)