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Molecule
Arsenic Pentachloride
CAS: 22441-45-8 · AsCl5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 22441-45-8
- Molecular Formula
- AsCl5
- Molecular Mass
- 252.19 g/mol
Identifiers
CAS Registry Number
22441-45-8
SMILES
Cl[As](Cl)(Cl)(Cl)Cl
InChI Key
ZSRZHCIWJJKHAU-UHFFFAOYSA-N
InChI
InChI=1S/AsCl5/c2-1(3,4,5)6
Names and Synonyms
- Arsenic Pentachloride Common Name
- Arsorane, pentachloro- Synonym
- Arsenic chloride (AsCl5) Synonym
- Pentachloroarsorane Synonym
- Arsenic pentachloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 252.19 g/mol | CAS Common Chemistry |
| 252.187 g/mol | RDKit | |
| 252.172 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Arsenic_pentachloride | CAS Common Chemistry |
| Canonical SMILES | Cl[As](Cl)(Cl)(Cl)Cl | CAS Common Chemistry |
| InChI | InChI=1S/AsCl5/c2-1(3,4,5)6 | CAS Common Chemistry |
| InChI Key | InChIKey=ZSRZHCIWJJKHAU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -50 °C (decomp) | CAS Common Chemistry |
| Name | Pentachloroarsorane | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.0667 | RDKit |
| Molar Refractivity | 35.019000000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 249.7658599 g/mol | RDKit |
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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MW = 252.19 g/mol. Edit any field — others recompute live.
