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Molecule
10,10′-Oxybisphenoxarsine
CAS: 58-36-6 · C24H16As2O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 58-36-6
- Molecular Formula
- C24H16As2O3
- Molecular Mass
- 502.23 g/mol
Identifiers
CAS Registry Number
58-36-6
SMILES
c1ccc2c(c1)Oc1ccccc1[As]2O[As]1c2ccccc2Oc2ccccc21
InChI Key
VCRZAKVGPJFABU-UHFFFAOYSA-N
InChI
InChI=1S/C24H16As2O3/c1-5-13-21-17(9-1)25(18-10-2-6-14-22(18)27-21)29-26-19-11-3-7-15-23(19)28-24-16-8-4-12-20(24)26/h1-16H
Names and Synonyms
- 10,10′-Oxybisphenoxarsine Systematic Name
- 10H-Phenoxarsine, 10,10′-oxybis- Synonym
- Phenoxarsine, 10,10′-oxydi- Synonym
- 10,10′-Oxybis[10H-phenoxarsine] Synonym
- 10,10′-Oxybisphenoxarsine Synonym
- Bis(phenoxarsin-10-yl) ether Synonym
- DID 47 Synonym
- 10,10′-Oxidiphenoxarsine Synonym
- Bis(10-phenoxarsyl) oxide Synonym
- Bis(10-phenoxarsinyl) oxide Synonym
- SA 546 Synonym
- Vinyzene Synonym
- Vinyzene (pesticide) Synonym
- Vinyzene BP 5 Synonym
- Vinyzene BP 5-2 Synonym
- Vinyzene SB 1 Synonym
- 10,10′-Bis(phenoxarsinyl) oxide Synonym
- Vinadine Synonym
- Durotex Synonym
- Vinyzene SB 1PS Synonym
- Intercide ABF 1 Esbo Synonym
- Vinyzene BP 505 Synonym
- Vinyzene BS 1 Synonym
- Vinyzene SB 1PR Synonym
- OBPA Synonym
- Vinyzene BP 5-2DIDP Synonym
- ABF 5DIDP Synonym
- Micropel 5DIDP Synonym
- SB 1PR Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 502.23 g/mol | CAS Common Chemistry |
| 502.2330000000002 g/mol | RDKit | |
| 502.233 g/mol | RDKit | |
| Canonical SMILES | O1C=2C=CC=CC2[As](O[As]3C=4C=CC=CC4OC=5C=CC=CC53)C=6C=CC=CC16 | CAS Common Chemistry |
| Density | 1.40-1.42 g/cm3 | CAS Common Chemistry |
| InChI | InChI=1S/C24H16As2O3/c1-5-13-21-17(9-1)25(18-10-2-6-14-22(18)27-21)29-26-19-11-3-7-15-23(19)28-24-16-8-4-12-20(24)26/h1-16H | CAS Common Chemistry |
| InChI Key | InChIKey=VCRZAKVGPJFABU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 184-185 °C | CAS Common Chemistry |
| Name | 10,10′-Oxybisphenoxarsine | CAS Common Chemistry |
| Heavy Atom Count | 29 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 2.8262 | RDKit |
| Molar Refractivity | 117.045 cm³/mol | RDKit |
| Ring Count | 6 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 501.95313737199996 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 502.23 g/mol. Edit any field — others recompute live.
