Identifiers & Physical Properties
| CAS No. | 14265-44-2 |
|---|
| Molecular formula | O4P-3 |
|---|
| Average molar mass | 94.971 g/mol |
|---|
| Monoisotopic mass | 94.95506585 g/mol |
|---|
| SMILES | O=P([O-])([O-])[O-] |
|---|
| InChIKey | NBIIXXVUZAFLBC-UHFFFAOYSA-K |
|---|
| PubChem CID | 1061 |
|---|
| ChEBI | CHEBI:18367 |
|---|
| EC No. | 604-302-9 |
|---|
| DTXSID | DTXSID7039672 |
|---|
Chemical & Physical Properties
| XLogP | -2.3 |
|---|
| Topological polar surface area | 86.3 |
|---|
| Hydrogen bond donors | 0 |
|---|
| Hydrogen bond acceptors | 4 |
|---|
| Rotatable bonds | 0 |
|---|
| Heavy atoms | 5 |
|---|
| Formal charge | -3 |
|---|
| Complexity | 36.8 |
|---|
| Chemical classes | Nutrient |
|---|
Safety & Regulations
| GHS classification | Not Classified |
|---|
| Regulatory information | Chemical: PhosphateRegulation (EC) No 1333/2008 (amended)Phosphate: Does not have an individual approval but may be used under an appropriate group standard |
|---|
| Other safety information | IMAP assessments - Phosphate: Human health tier I assessment |
|---|
| DOT Hazard Classification | Organic phosphate, mixed with compressed gas or Organic phosphate compound, mixed with compressed gas or Organic phosphorus compound, mixed with compressed gasNA1955Div 2.3 Poisonous gas (49 eCFR § 173.115)Symbol D: The proper shipping name which is appropriate for describing material for domestic transportation |
|---|
| Hazard Classes and Categories | Not Classified |
|---|
| USGS Health-Based Screening Levels for Evaluating Water-Quality | Phosphorus OrthoNutrientSmith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP |
|---|
