Basic information
- Name:
Iodobenzene diacetate
- CAS No.:
3240-34-4
- Molecular Structure:
- Formula:
- C10H11IO4
- Molecular Weight:
- 322.10 .
- Deleted CAS:
- 94569-95-6|864365-83-3|864365-82-2|76546-99-1|359635-52-2|207518-80-7
- Synonyms:
- (Diacetoxyiodo)benzene;Iodosobenzene diacetate;PIA;
- EINECS:
- 221-808-1
- Melting Point:
- 161-163 °C(lit.)
- Solubility:
- insoluble in water
- Appearance:
- white to light yellow crystal powder
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 22-24/25-37/39-26-36/37/39-27 Details
- Transport Information:
- UN 1479
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Chemistry
Molecular Structure of Iodobenzene diacetate (CAS NO.3240-34-4):
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IUPAC Name: [Acetyloxy(phenyl)-λ3-iodanyl] acetate
Canonical SMILES: CC(=O)OI(C1=CC=CC=C1)OC(=O)C
InChI: InChI=1S/C10H11IO4/c1-8(12)14-11(15-9(2)13)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKey: ZBIKORITPGTTGI-UHFFFAOYSA-N
Molecular Weight: 322.09641 [g/mol]
Molecular Formula: C10H11IO4
XLogP3-AA: 2.8
H-Bond Donor: 0
H-Bond Acceptor: 4
EINECS: 221-808-1
Product Categories: Benzene derivatives; APIs; Hypervalent Iodine Compounds; Oxidation; Synthetic Organic Chemistry
Appearance: white to light yellow crystal powder
Melting Point: 161-163 °C(lit.)
Solubility: INSOLUBLE
Water Solubility: INSOLUBLE
Sensitive: Light Sensitive
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 56mg/kg (56mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02976, |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Poison by intravenous route. When heated to decomposition it emits toxic fumes of I−.
Safety Information of Iodobenzene diacetate (CAS NO.3240-34-4):
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 22-24/25-37/39-26-36/37/39-27
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.
S37/39:Wear suitable gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S27:Take off immediately all contaminated clothing.
RIDADR: 1479
WGK Germany: 3
RTECS: DA3525000
Hazard Note: Irritant
HazardClass: 6.1(b)
PackingGroup: III
Specification
Iodobenzene diacetate (CAS NO.3240-34-4), its Synonyms are (Diacetoxyiodo)benzene ; Benzene, (diacetoxyiodo)- ; Benzene, (dihydroxyiodo)-, diacetate ; Benzene, iodoso-, diacetate ; Bis(acetato)phenyliodine ; Phenyliodine diacetate ; Phenyliodine(III) diacetate ; Phenyliodo diacetate ; Phenyliodoso acetate ; Phenyliodoso diacetate ; Phenyliodosyl diacetate ; Iodine, bis(acetato-O)phenyl- (9CI) ; Iodine, bis(acetato-kappaO)phenyl- .