trinickelarsa-1,4-diene

• ChemBase ID: 303213
• Molecular Formular: As2H2Ni3
• Molecular Mass: 327.93928
• Monoisotopic Mass: 325.66487076
• SMILES: [Ni]([AsH]=[Ni])[AsH]=[Ni]
• Canonical SMILES: [Ni]=[AsH][Ni][AsH]=[Ni]
• InChI: InChI=1S/2As.3Ni
• InChIKey: TYFIMQJFXXDXEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trinickelarsa-1,4-diene
• IUPAC Traditional name: trinickelarsa-1,4-diene
• Synonyms: Nickel arsenide; 砷化镍

Database IDs

• CAS Number: 12068-61-0
• EC Number: 235-103-1
• MDL Number: MFCD00151450

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -0.75
• LogD (pH = 7.4): -0.75
• Log P: -0.75
• Molar Refractivity: 0.0 cm^3
• Polarizability: 17.971243 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: 10mm & Down Lump

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: UN3077
• Hazard Class: 9
• Packing Group: III
• Risk Statements: 49-43-48/23-50/53
• Safety Statements: 53-45-60-61
• TSCA Listed: 否
• GHS Pictograms: GHS07; GHS08; GHS09
• GHS Hazard statements: H350-H372-H400-H410-H317
• GHS Precautionary statements: P273-P201-P308+P313-P501A

Product Information

• Purity: 99.5% (metals basis excluding Co), Co 0.1-1%