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Molecule
Phenyldichloroarsine
CAS: 696-28-6 · C6H5AsCl2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 696-28-6
- Molecular Formula
- C6H5AsCl2
- Molecular Mass
- 222.93 g/mol
Identifiers
CAS Registry Number
696-28-6
SMILES
Cl[As](Cl)c1ccccc1
InChI Key
UDHDFEGCOJAVRE-UHFFFAOYSA-N
InChI
InChI=1S/C6H5AsCl2/c8-7(9)6-4-2-1-3-5-6/h1-5H
Names and Synonyms
- Phenyldichloroarsine Common Name
- Pfiffikus Synonym
- Arsonous dichloride, As-phenyl- Synonym
- Arsine, dichlorophenyl- Synonym
- Arsonous dichloride, phenyl- Synonym
- As-Phenylarsonous dichloride Synonym
- Dichlorophenylarsine Synonym
- Phenyldichloroarsine Synonym
- Phenylarsinedichloride Synonym
- Phenylarsenic dichloride Synonym
- Phenylarsonous dichloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 222.93 g/mol | CAS Common Chemistry |
| 222.93400000000003 g/mol | RDKit | |
| 222.934 g/mol | RDKit | |
| 222.928 g/mol | chempirical lib | |
| Density | 1.65 g/cm³ | CAS Common Chemistry |
| 1.6516 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Phenyldichloroarsine | CAS Common Chemistry |
| Boiling Point | 255 °C | CAS Common Chemistry |
| Canonical SMILES | Cl[As](Cl)C=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H5AsCl2/c8-7(9)6-4-2-1-3-5-6/h1-5H | CAS Common Chemistry |
| InChI Key | InChIKey=UDHDFEGCOJAVRE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -19 °C | CAS Common Chemistry |
| Name | Phenyldichloroarsine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 1.8594 | RDKit |
| Molar Refractivity | 43.536000000000016 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 221.89842702 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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 = 222.93 g/mol; density = 1.650 g/mL. Edit any field — others recompute live.
