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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 Weight:
97.99399999999999 g/mol
Names and Synonyms:
Phosphoric Acid
Phosphoric acid
Orthophosphoric acid
EVITs
WC-Reiniger
Sonac
Decon 4512
Kefo
3M Etching Liquid
C 134 (acid)
C 434 (acid)
C 134
C 434
Mikro Klene DF
K-etchant
SPA 2 (catalyst)
SPA 2
TG 434
Ultra-Etch Gel
Uni-Etch
Ultraetch
Amberphos 54
HQ 54
Panavia Etching Agent
Conditioner 36
E 338
Total Etch
NSC 80804
Etchalite
Kerr Etchant
Y 11A06
Ultradent
K Etchant Gel
Acidum phosphoricum
Vococid
PC 400
SF 1
SF 1 (acid)
Identifiers:
SMILES:
O=P(O)(O)O
InChI:
InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
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.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 97.99 g/mol | Legacy Database |
| density | 1.83 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Phosphoric_acid None | Legacy Database |
| cas-canonical-smile | O=P(O)(O)O None | Legacy Database |
| cas-density | 1.834 g/cm3 @ Temp: 18 °C None | Legacy Database |
| cas-inchi | InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4) None | Legacy Database |
| cas-inchi-key | InChIKey=NBIIXXVUZAFLBC-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 42.35 °C None | Legacy Database |
| cas-name | Phosphoric acid None | Legacy Database |
| wikipedia-name | Phosphoric acid None | Legacy Database |
| LogP | -0.9286000000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 97.99399999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 97.97689520600001 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 77.76 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 14.262899999999998 | RDKit |
