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(Diacetoxyiodo)Benzene
CAS: 3240-34-4 | C10H11IO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3240-34-4
Molecular Formula:
C10H11IO4
Molecular Mass:
322.10 g/mol
Names and Synonyms:
(Diacetoxyiodo)Benzene
Iodine, bis(acetato-κO)phenyl-
Benzene, (diacetoxyiodo)-
Iodine, bis(acetato-O)phenyl-
Benzene, (dihydroxyiodo)-, diacetate
Benzene, iodoso-, diacetate
Bis(acetato-κO)phenyliodine
Phenyliodoso acetate
Iodosobenzene diacetate
(Diacetoxyiodo)benzene
Phenyliodine diacetate
Phenyliodoso diacetate
Phenyliodo diacetate
Bis(acetato)phenyliodine
Phenyliodine(III) diacetate
Phenyliodosyl diacetate
Iodobenzene diacetate
[Bis(acetoxy)iodo]benzene
Phenyliodonium diacetate
Iodophenyl diacetate
Iodosylbenzene diacetate
PIDA
NSC 226375
NSC 23801
BAIB
Diacetoxy(phenyl)iodine
Identifiers:
SMILES:
CC(=O)OI(OC(C)=O)c1ccccc1
InChI:
InChI=1S/C10H11IO4/c1-8(12)14-11(15-9(2)13)10-6-4-3-5-7-10/h3-7H,1-2H3
Key Properties
Melting Point
160.5 °C
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 | 322.10 g/mol | CAS Common Chemistry |
| 322.098 g/mol | RDKit | |
| 321.97020683200003 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/(Diacetoxyiodo)benzene | CAS Common Chemistry |
| Canonical SMILES | O=C(OI(OC(=O)C)C=1C=CC=CC1)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H11IO4/c1-8(12)14-11(15-9(2)13)10-6-4-3-5-7-10/h3-7H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZBIKORITPGTTGI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 160.5 °C | CAS Common Chemistry |
| Name | Iodobenzene diacetate | CAS Common Chemistry |
| (Diacetoxyiodo)benzene | CAS Common Chemistry | |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 52.6 Ų | RDKit |
| LogP | 2.3188000000000004 | RDKit |
| Molar Refractivity | 62.69100000000003 | RDKit |
