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Molecule
Perchloric Acid
CAS: 7601-90-3 · HClO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7601-90-3
- Molecular Formula
- HClO4
- Molecular Mass
- 100.46 g/mol
Identifiers
CAS Registry Number
7601-90-3
SMILES
[O-][Cl+3]([O-])([O-])O
InChI Key
VLTRZXGMWDSKGL-UHFFFAOYSA-N
InChI
InChI=1S/ClHO4/c2-1(3,4)5/h(H,2,3,4,5)
Names and Synonyms
- Perchloric Acid Common Name
- Perchloric acid Synonym
- Perchloric acid (HClO4) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 100.46 g/mol | CAS Common Chemistry |
| 100.457 g/mol | RDKit | |
| 100.454 g/mol | chempirical lib | |
| Density | 1.77 g/cm³ | CAS Common Chemistry |
| 1.768 g/cm3 @ 22 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Perchloric_acid | CAS Common Chemistry |
| Canonical SMILES | O=Cl(=O)(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/ClHO4/c2-1(3,4)5/h(H,2,3,4,5) | CAS Common Chemistry |
| InChI Key | InChIKey=VLTRZXGMWDSKGL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -112 °C | CAS Common Chemistry |
| Name | Perchloric acid | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 89.41 Ų | RDKit |
| LogP | -4.124 | RDKit |
| Molar Refractivity | 2.2188 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 99.95633619200001 g/mol | RDKit |
| Boiling Point | 19 °C @ 11 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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Quick conversion
MW = 100.46 g/mol; density = 1.770 g/mL. Edit any field — others recompute live.
