phosphonous acid amine

• ChemBase ID: 157821
• Molecular Formular: H6NO2P
• Molecular Mass: 83.026901
• Monoisotopic Mass: 83.01361507
• SMILES: N.OPO
• Canonical SMILES: OPO.N
• InChI: InChI=1S/H3N.H3O2P/c;1-3-2/h1H3;1-3H
• InChIKey: ZRDXIILBYDTYOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phosphonous acid amine
• IUPAC Traditional name: phosphonous acid amine
• Synonyms: Ammonium phosphinate; Ammonium hypophosphite; 次磷酸铵; 次亚磷酸铵

Database IDs

• CAS Number: 7803-65-8
• EC Number: 232-266-0
• MDL Number: MFCD00050356
• PubChem SID: 162251958; 24845733; 24846478
• PubChem CID: 16128106

CALCULATED PROPERTIES

• Acid pKa: 16.856924
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.0984
• LogD (pH = 7.4): -1.0984
• Log P: -1.0984
• Molar Refractivity: 11.1292 cm^3
• Polarizability: 4.882278 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥97.0%; ≥97.0% (NT)
• Grade: purum
• Impurities: ≤0.001% heavy metals (as Pb); ≤1% H3PO3
• Cation Traces: As: ≤5 mg/kg; Ca: ≤500 mg/kg; Fe: ≤10 mg/kg
• Antion Traces: chloride (Cl-): ≤100 mg/kg; phosphite (H3PO3): ≤1%; sulfate (SO42-): ≤100 mg/kg
• Linear Formula: NH4H2PO2