ammonium dihydrogen phosphate

• ChemBase ID: 125819
• Molecular Formular: H6NO4P
• Molecular Mass: 115.025701
• Monoisotopic Mass: 115.00344431
• SMILES: [O-]P(=O)(O)O.[NH4+]
• Canonical SMILES: [O-]P(=O)(O)O.[NH4+]
• InChI: InChI=1S/H3N.H3O4P/c;1-5(2,3)4/h1H3;(H3,1,2,3,4)
• InChIKey: LFVGISIMTYGQHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ammonium dihydrogen phosphate
• IUPAC Traditional name: ammonium dihydrogen phosphate
• Synonyms: Ammonium dihydrogen phosphate, Puratronic®; monoammonium phosphate; Ammonium dihydrogen phosphate; Ammonium dihydrogen phosphate, Matrix Modifier Solution, Specpure®; Ammonium dihydrogen phosphate, ACS; mono-Ammonium phosphate; Ammonium phosphate, monobasic; Ammonium dihydrogen phosphate; 磷酸二氢铵, Puratronic®; 磷酸二氢铵, 基质改性液, Specpure®; 磷酸二氢铵, ACS; 磷酸二氢铵

Database IDs

• CAS Number: 7722-76-1
• EC Number: 231-714-2; 231-764-5
• MDL Number: MFCD00003396
• Merck Index: 14543
• PubChem SID: 162220165
• PubChem CID: 24402
• Chemspider ID: 22812
• Wikipedia Title: Ammonium_dihydrogen_phosphate

CALCULATED PROPERTIES

• Acid pKa: 1.7961261
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.3916447
• LogD (pH = 7.4): -3.9718332
• Log P: -1.0201038
• Molar Refractivity: 13.5302 cm^3
• Polarizability: 5.806723 Å^3
• Polar Surface Area: 80.59 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 40.4 g/100 mL in water; Freely soluble in water. Slightly soluble in alcohol. Insoluble in acetone
• Apperance: Crystalline; Liquid; white tetragonal crystals
• Melting Point: 190°C; 190°C; 198-204°C
• Density: 1.80 g/cm^3; 1.803
• Std enthalpy of formation: -1445.07 kJ/mol

Safety Information

• RTECS: TC6587000
• European Hazard Symbols: Corrosive (C); Irritant (Xi)
• UN Number: UN3264
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34; 36/37/38
• Safety Statements: 23-26-36/37/39-45; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07
• NFPA704:
  

  0

  1

  0
• GHS Hazard statements: H314-H318; H315-H319-H335
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%; 98.0% min; 99.995% (metals basis)