diammonium dioxomolybdenumbis(olate) tetrahydrate

• ChemBase ID: 108248
• Molecular Formular: H16MoN2O8
• Molecular Mass: 268.09564
• Monoisotopic Mass: 269.99607348
• SMILES: [NH4+].[NH4+].O.O.O.O.[O-][Mo](=O)(=O)[O-]
• Canonical SMILES: [O-][Mo](=O)(=O)[O-].[NH4+].[NH4+].O.O.O.O
• InChI: InChI=1S/Mo.2H3N.4H2O.4O/h;2*1H3;4*1H2;;;;/q;;;;;;;;;2*-1/p+2
• InChIKey: JKDYWHSTXGRGEW-UHFFFAOYSA-P

NAMES AND DATABASE IDS

Names

• IUPAC name: diammonium dioxomolybdenumbis(olate) tetrahydrate
• IUPAC Traditional name: diammonium tetrahydrate molybdate
• Synonyms: Ammonium molybdate (para) hydrate, Puratronic®; 4-BENZYLOXYINDOLE; 水合钼酸铵, Puratronic®

Database IDs

• CAS Number: 120289-26-3; 12027-67-7
• EC Number: 234-722-4
• MDL Number: MFCD00064633
• Merck Index: 14533
• PubChem SID: 162095129
• PubChem CID: 21871543

CALCULATED PROPERTIES

• Acid pKa: -2.30103
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -5.970884
• LogD (pH = 7.4): -6.2965326
• Log P: -1.7752
• Molar Refractivity: 5.7716 cm^3
• Polarizability: 7.7780766 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder
• Melting Point: 100-105°C; ca 190°C dec.
• Density: 2.498

Safety Information

• RTECS: QA4900000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 99.999% (metals basis)