methylniobium

• ChemBase ID: 136945
• Molecular Formular: CH3Nb
• Molecular Mass: 107.9409
• Monoisotopic Mass: 107.9298531
• SMILES: C[Nb]
• Canonical SMILES: C[Nb]
• InChI: InChI=1S/CH3.Nb/h1H3
• InChIKey: DFFBKGAISVHYSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methylniobium
• IUPAC Traditional name: methylniobium
• Synonyms: Niobium(IV) carbide; 碳化铌

Database IDs

• CAS Number: 12069-94-2
• EC Number: 235-117-8
• PubChem SID: 162231212; 24861134
• PubChem CID: 59068276

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.243
• LogD (pH = 7.4): 0.243
• Log P: 0.243
• Molar Refractivity: 5.5491 cm^3
• Polarizability: 6.5816274 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 7.6 g/mL at 25 °C(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 97%
• Particle Size: 5 μm
• Linear Formula: NbC

DETAILS

Sigma Aldrich - 343234

Packaging
25 g in poly bottle