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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 Mass:
97.99 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)
Key Properties
Melting Point
42.35 °C
CAS Common Chemistry
Density
1.83 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 97.99 g/mol | CAS Common Chemistry |
| 97.99399999999999 g/mol | RDKit | |
| 97.97689520600001 g/mol | RDKit | |
| Density | 1.83 g/cm³ | CAS Common Chemistry |
| 1.834 g/cm3 @ Temp: 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 |
| Molar Refractivity | 14.262899999999998 | RDKit |
