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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!
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Bulk Quote| IUPAC name | phosphoric acid |
| canonical smiles | OP(=O)(O)O |
| inchi | InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4) |
| inchi key | NBIIXXVUZAFLBC-UHFFFAOYSA-N |
| molecular formula | H3PO4 |
| synonyms | |
| Compound Description |
| Molecular Weight: | 97.995 g/mol |
| XLogP3: | -2.1 |
| Hydrogen Bond Donor Count: | 3 |
| Hydrogen Bond Acceptor Count: | 4 |
| Rotatable Bond Count: | 0 |
| Exact Mass: | 97.97689557 g/mol |
| Monoisotopic Mass: | 97.97689557 g/mol |
| Topological Polar Surface Area: | 77.8 Ų |
| Heavy Atom Count: | 5 |
| Formal Charge: | 0 |
| Complexity: | 49.8 |
| Isotope Atom Count: | 0 |
| Defined Atom Stereocenter Count: | 0 |
| Undefined Atom Stereocenter Count: | 0 |
| Defined Bond Stereocenter Count: | 0 |
| Undefined Bond Stereocenter Count: | 0 |
| Covalently-Bonded Unit Count: | 1 |
| Compound Is Canonicalized: | Yes |
| hazard signal | Danger |
| hazard classes and categories | |
| precautionary statement codes | P234, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P390, P405, P406, and P501 |
| hazard statements | |
| hazards summary | Liquid or solid form causes second degree burns after contact for a few minutes. Usually shipped as a solid or 85% solution. Phosphoric acid > 70% is corrosive to skin. Phosphoric acid is an eye, skin, and upper respiratory tract irritant. The risk of pulmonary edema is very small. Corrosive to the skin, eye, and respiratory tract. If phosphoric acid is used as a catalyst, phosphine can be formed in the strongly reducing atmosphere of the hot emissions. In air, phosphine rapidly oxidizes to phosphorus oxide. |
