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Molecule
Phosphoric Acid
CAS: 7664-38-2 · H3O4P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7664-38-2
- Molecular Formula
- H3O4P
- Molecular Mass
- 97.99 g/mol
Identifiers
CAS Registry Number
7664-38-2
SMILES
O=P(O)(O)O
InChI Key
NBIIXXVUZAFLBC-UHFFFAOYSA-N
InChI
InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)
Names and Synonyms
- Phosphoric Acid Synonym
- Phosphoric acid Synonym
- Orthophosphoric acid Synonym
- EVITs Synonym
- WC-Reiniger Synonym
- Sonac Synonym
- Decon 4512 Synonym
- Kefo Synonym
- 3M Etching Liquid Synonym
- C 134 (acid) Synonym
- C 434 (acid) Synonym
- C 134 Synonym
- C 434 Synonym
- Mikro Klene DF Synonym
- K-etchant Synonym
- SPA 2 (catalyst) Synonym
- SPA 2 Synonym
- TG 434 Synonym
- Ultra-Etch Gel Synonym
- Uni-Etch Synonym
- Ultraetch Synonym
- Amberphos 54 Synonym
- HQ 54 Synonym
- Panavia Etching Agent Synonym
- Conditioner 36 Synonym
- E 338 Synonym
- Total Etch Synonym
- NSC 80804 Synonym
- Etchalite Synonym
- Kerr Etchant Synonym
- Y 11A06 Synonym
- Ultradent Synonym
- K Etchant Gel Synonym
- Acidum phosphoricum Synonym
- Vococid Synonym
- PC 400 Synonym
- SF 1 Synonym
- SF 1 (acid) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 97.99 g/mol | CAS Common Chemistry |
| 97.99399999999999 g/mol | RDKit | |
| 97.994 g/mol | RDKit | |
| Density | 1.83 g/cm³ | CAS Common Chemistry |
| 1.834 g/cm3 @ 18 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Phosphoric_acid | CAS Common Chemistry |
| Canonical SMILES | O=P(O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=NBIIXXVUZAFLBC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 42.35 °C | CAS Common Chemistry |
| Name | Phosphoric acid | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 77.76 Ų | RDKit |
| LogP | -0.9286000000000001 | RDKit |
| -0.9286 | RDKit | |
| Molar Refractivity | 14.262899999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 97.97689520600001 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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Quick conversion
MW = 97.99 g/mol; density = 1.830 g/mL. Edit any field — others recompute live.
