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Molecule
Ethyldichloroarsine
CAS: 598-14-1 · C2H5AsCl2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 598-14-1
- Molecular Formula
- C2H5AsCl2
- Molecular Mass
- 174.89 g/mol
Identifiers
CAS Registry Number
598-14-1
SMILES
CC[As](Cl)Cl
InChI Key
LQSFEOMOHFPNEB-UHFFFAOYSA-N
InChI
InChI=1S/C2H5AsCl2/c1-2-3(4)5/h2H2,1H3
Names and Synonyms
- Ethyldichloroarsine Synonym
- Arsonous dichloride, As-ethyl- Synonym
- Arsine, dichloroethyl- Synonym
- Arsonous dichloride, ethyl- Synonym
- As-Ethylarsonous dichloride Synonym
- Ethyldichloroarsine Synonym
- Arsenic dichloroethane Synonym
- Dichloroethylarsine Synonym
- Ethylarsonous dichloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 174.89 g/mol | CAS Common Chemistry |
| 174.89000000000001 g/mol | RDKit | |
| 174.884 g/mol | chempirical lib | |
| Density | 1.74 g/cm³ | CAS Common Chemistry |
| 1.742 g/cm3 @ 14 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ethyldichloroarsine | CAS Common Chemistry |
| Canonical SMILES | Cl[As](Cl)CC | CAS Common Chemistry |
| InChI | InChI=1S/C2H5AsCl2/c1-2-3(4)5/h2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LQSFEOMOHFPNEB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -65 °C | CAS Common Chemistry |
| Name | As-Ethylarsonous dichloride | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 1.9721 | RDKit |
| Molar Refractivity | 27.940999999999992 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 173.89842702 g/mol | RDKit |
| Boiling Point | 74 °C @ 50 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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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MW = 174.89 g/mol; density = 1.740 g/mL. Edit any field — others recompute live.
