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Ethyldichloroarsine
CAS: 598-14-1 | C2H5AsCl2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
598-14-1
Molecular Formula:
C2H5AsCl2
Molecular Mass:
174.89 g/mol
Names and Synonyms:
Ethyldichloroarsine
Arsonous dichloride, As-ethyl-
Arsine, dichloroethyl-
Arsonous dichloride, ethyl-
As-Ethylarsonous dichloride
Ethyldichloroarsine
Arsenic dichloroethane
Dichloroethylarsine
Ethylarsonous dichloride
Identifiers:
SMILES:
CC[As](Cl)Cl
InChI:
InChI=1S/C2H5AsCl2/c1-2-3(4)5/h2H2,1H3
Key Properties
Boiling Point
74 °C @ Press: 50 Torr
CAS Common Chemistry
Melting Point
-65 °C
CAS Common Chemistry
Density
1.74 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 | 174.89 g/mol | CAS Common Chemistry |
| 174.89000000000001 g/mol | RDKit | |
| 173.89842702 g/mol | RDKit | |
| Density | 1.74 g/cm³ | CAS Common Chemistry |
| 1.742 g/cm3 @ Temp: 14 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ethyldichloroarsine | CAS Common Chemistry |
| Boiling Point | 74 °C @ Press: 50 Torr | 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 |
| Ethyldichloroarsine | 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 | RDKit |
