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10,10′-Oxybisphenoxarsine
CAS: 58-36-6 | C24H16As2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
58-36-6
Molecular Formula:
C24H16As2O3
Molecular Mass:
502.23 g/mol
Names and Synonyms:
10,10′-Oxybisphenoxarsine
10H-Phenoxarsine, 10,10′-oxybis-
Phenoxarsine, 10,10′-oxydi-
10,10′-Oxybis[10H-phenoxarsine]
10,10′-Oxybisphenoxarsine
Bis(phenoxarsin-10-yl) ether
DID 47
10,10′-Oxidiphenoxarsine
Bis(10-phenoxarsyl) oxide
Bis(10-phenoxarsinyl) oxide
SA 546
Vinyzene
Vinyzene (pesticide)
Vinyzene BP 5
Vinyzene BP 5-2
Vinyzene SB 1
10,10′-Bis(phenoxarsinyl) oxide
Vinadine
Durotex
Vinyzene SB 1PS
Intercide ABF 1 Esbo
Vinyzene BP 505
Vinyzene BS 1
Vinyzene SB 1PR
OBPA
Vinyzene BP 5-2DIDP
ABF 5DIDP
Micropel 5DIDP
SB 1PR
Identifiers:
SMILES:
c1ccc2c(c1)Oc1ccccc1[As]2O[As]1c2ccccc2Oc2ccccc21
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
Key Properties
Melting Point
184-185 °C
CAS Common Chemistry
Density
1.40-1.42 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 | 502.23 g/mol | CAS Common Chemistry |
| 502.2330000000002 g/mol | RDKit | |
| 501.95313737199996 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 | RDKit |
