methanidylidynezirconiumylium

• ChemBase ID: 138692
• Molecular Formular: CZr
• Molecular Mass: 103.2347
• Monoisotopic Mass: 101.904704
• SMILES: [C-]#[Zr+]
• Canonical SMILES: [C-]#[Zr+]
• InChI: InChI=1S/C.Zr/q-1;+1
• InChIKey: MHMXYYDKIQTOHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methanidylidynezirconiumylium
• IUPAC Traditional name: methanidylidynezirconiumylium
• Synonyms: Zirconium(IV) carbide; 碳化锆(IV)

Database IDs

• CAS Number: 12070-14-3
• EC Number: 235-125-1
• MDL Number: MFCD00049640
• PubChem SID: 162232943; 24860376
• PubChem CID: 11159298

CALCULATED PROPERTIES

• Acid pKa: 19.895782
• 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: 5.9814887 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder
• Density: 6.73 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Flammable (F); Harmful (Xn)
• UN Number: 3178
• German water hazard class: 3
• Hazard Class: 4.1
• Packing Group: 2
• Risk Statements: 11-20/21/22
• Safety Statements: 16-27-33-36/37/39
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H228-H302 + H312 + H332
• GHS Precautionary statements: P210-P280
• Personal Protective Equipment: dust mask type N95 (US), 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 3178 4.1/PG 2

Product Information

• Purity: 99%
• Particle Size: 10 μm
• Description: cubic phase
• Linear Formula: ZrC

DETAILS

Sigma Aldrich - 336351

Packaging
250 g in glass bottle