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Cas Database |
| Name |
Iodosobenzene |
EINECS | N/A |
| CAS No. | 536-80-1 | Density | 1.8665 (estimate) |
| PSA | 17.07000 | LogP | 2.17240 |
| Solubility | Slightly soluble in water | Melting Point |
210°C (rough estimate) |
| Formula | C6H5 I O | Boiling Point | N/A |
| Molecular Weight | 220.01 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intraperitoneal and intravenous routes. Explodes when heated to 210°C. When heated to decomposition it emits toxic fumes of I−. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Benzene,iodoso- (6CI,7CI,8CI); Iodosobenzene; Iodosylbenzene; NSC 406477 |
Article Data | 73 |
Iodosobenzene Chemical Properties
Empirical Formula: C6H5IO
Molecular Weight: 220.0078 g/mol
EINECS: 208-648-8
Melting point: 210 °C
Density: 1.229 g/cm3
Storage tempreture: Freezer
Appearance: Colourless solid
Structure of Iodosobenzene (CAS NO.536-80-1):
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IUPAC Name: Iodosylbenzene
Canonical SMILES: C1=CC=C(C=C1)I=O
InChI: InChI=1S/C6H5IO/c8-7-6-4-2-1-3-5-6/h1-5H
InChIKey: JYJVVHFRSFVEJM-UHFFFAOYSA-N
Product Category of Iodosobenzene (CAS NO.536-80-1): Benzene derivatives;Hypervalent Iodine Compounds;Oxidation;Synthetic Organic Chemistry
Iodosobenzene Uses
Iodosobenzene (CAS NO.536-80-1) has no commercial uses, but in the laboratory it is employed as an "oxo-transfer reagent" .
Iodosobenzene Production
Iodosobenzene (CAS NO.536-80-1) is prepared by first oxidizing iodobenzene to the diacetate followed by hydrolysis:
C6H5I + CH3CO3H + CH3CO2H → C6H5I(O2CCH3)2 + H2O
C6H5I(O2CCH3)2 + H2O → C6H5IO + 2CH3CO2H
It was first described by Conrad Willgerodt from iodobenzene.
Iodosobenzene Toxicity Data With Reference
| 1. | ipr-mus LDLo:62,500 µg/kg | CBCCT* “Summary Tables of Biological Tests” National Research Council Chemical-Biological Coordination Center. 4 (1952),44. | ||
| 2. | ivn-mus LD50:180 mg/kg | CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#01479 . |
Iodosobenzene Consensus Reports
Reported in EPA TSCA Inventory.
Iodosobenzene Safety Profile
Poison by intraperitoneal and intravenous routes. Explodes when heated to 210°C. When heated to decomposition emits toxic fumes of I−.
Safety Statements: 17-36/37/39
S17:Keep away from combustible material.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
Iodosobenzene Specification
Iodosobenzene , its cas register number is 536-80-1. It also can be called Iodosylbenzene ; Benzene, iodoso- ; and Benzene, iodosyl- .
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