titanium(3+) ion azanetriide

• ChemBase ID: 303012
• Molecular Formular: NTi
• Molecular Mass: 61.8737
• Monoisotopic Mass: 61.95102031
• SMILES: [NH3-3].[Ti+3]
• Canonical SMILES: [NH3-3].[Ti+3]
• InChI: InChI=1S/N.Ti/q-3;+3
• InChIKey: YPRFHNCMSAIZJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: titanium(3+) ion azanetriide
• IUPAC Traditional name: titanium(3+) ion azanetriide
• Synonyms: Titanium nitride; Titanium nitride, Aerosol Refractory Paint; 氮化钛; 氮化钛, 气溶胶耐温涂料

Database IDs

• CAS Number: 25583-20-4
• EC Number: 247-117-5
• MDL Number: MFCD00049596

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -3.7525723
• LogD (pH = 7.4): -2.4393091
• Log P: -0.978
• Molar Refractivity: 13.1149 cm^3
• Polarizability: 1.1767 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; -325 Mesh Powder; Aerosol Spray Can
• Melting Point: 2950°C
• Density: 5.22

Safety Information

• RTECS: XR2230000
• European Hazard Symbols: Highly flammable (F+); Irritant (Xi)
• UN Number: UN1950
• Hazard Class: 2.1
• Risk Statements: 12-36-66-67
• Safety Statements: 7/9-16-26
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H220-H319-H336
• GHS Precautionary statements: P210-P261-P280-P305+P351+P338-P405-P501A

Product Information

• Purity: 99.5% (metals basis); 99.7% (metals basis); 99+%