diammonium hydrogen phosphate

• ChemBase ID: 295450
• Molecular Formular: H9N2O4P
• Molecular Mass: 132.056221
• Monoisotopic Mass: 132.02999341
• SMILES: [NH4+].[NH4+].OP(=O)([O-])[O-]
• Canonical SMILES: [O-]P(=O)(O)[O-].[NH4+].[NH4+]
• InChI: InChI=1S/2H3N.H3O4P/c;;1-5(2,3)4/h2*1H3;(H3,1,2,3,4)
• InChIKey: MNNHAPBLZZVQHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diammonium hydrogen phosphate
• IUPAC Traditional name: diammonium hydrogen phosphate
• Synonyms: Diammonium hydrogen phosphate; Phosphoric acid diammonium salt; Ammonium hydrogen phosphate; Ammonium hydrogen phosphate, ACS; Ammonium hydrogen phosphate, tech.; 磷酸氢铵; 磷酸氢铵, ACS; 磷酸氢铵, tech.

Database IDs

• CAS Number: 7783-28-0
• EC Number: 231-987-8
• MDL Number: MFCD00010891
• Merck Index: 14542
• PubChem SID: 180680981
• PubChem CID: 24540

CALCULATED PROPERTIES

• Acid pKa: 1.7961261
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.3916447
• LogD (pH = 7.4): -3.9718332
• Log P: -1.0201038
• Molar Refractivity: 12.4085 cm^3
• Polarizability: 5.685633 Å^3
• Polar Surface Area: 83.42 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Freely soluble in water. Insoluble in alcohol, acetone
• Apperance: -100 Mesh Powder; Crystalline
• Melting Point: 155°C dec.
• Density: 1.619

Safety Information

• 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: 98%; 98.0% min; P2O5 53% min