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Cas Database |
| Name |
3,5-Diiodosalicylic acid |
EINECS | 205-124-0 |
| CAS No. | 133-91-5 | Density | 2.697 g/cm3 |
| PSA | 57.53000 | LogP | 2.29960 |
| Solubility | 0.02 g/100mL (25 °C) in water | Melting Point |
220-230 °C (dec.)(lit.) |
| Formula | C7H4I2O3 | Boiling Point | 380.8 °C at 760 mmHg |
| Molecular Weight | 389.916 | Flash Point | 184.1 °C |
| Transport Information | N/A | Appearance | Off-white to beige or grey powder |
| Safety | 26-36-37/39 | Risk Codes | 20/21/22-36/37/38-22 |
| Molecular Structure |
|
Hazard Symbols |
 Xn, Xi
|
| Synonyms |
Salicylicacid, 3,5-diiodo- (6CI,7CI,8CI);2-Hydroxy-3,5-diiodobenzenecarboxylic acid;2-Hydroxy-3,5-diiodobenzoic acid;3,5-Diiodo-2-hydroxybenzoic acid;NSC 6303;Benzoicacid, 2-hydroxy-3,5-diiodo-; |
Article Data | 33 |
3,5-Diiodosalicylic acid Synthetic route
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide; iodine; trichloroacetic acid In methanol at 45 - 66℃; for 6h; | 95.9% |
| With N-iodo-succinimide In water; acetonitrile at 25 - 30℃; for 0.333333h; | 95% |
| With sodium hydrogencarbonate; N,N,N-trimethylbenzenemethanaminium dichloroiodate In methanol; dichloromethane for 7h; Ambient temperature; | 91% |
| Conditions | Yield |
|---|---|
| With permanganate(VII) ion; acetone |
- 528-93-8, 14800-64-7
silver salicylate
- 133-91-5
3,5-diiodosalicylic acid
| Conditions | Yield |
|---|---|
| With iodine |
| Conditions | Yield |
|---|---|
| With ethanol; iodine |
- 133-91-5
3,5-diiodosalicylic acid
3,5-Diiodosalicylic acid Chemical Properties
Molecular Structure of 3,5-Diiodosalicylic acid (CAS NO.133-91-5):
.gif)
IUPAC Name: 2-Hydroxy-3,5-diiodobenzoic acid
Canonical SMILES: C1=C(C=C(C(=C1I)O)C(=O)O)I
InChI: InChI=1S/C7H4I2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)
InChIKey: DHZVWQPHNWDCFS-UHFFFAOYSA-N
Molecular Weight: 389.9138 [g/mol]
Molecular Formula: C7H4I2O3
XLogP3: 4.6
H-Bond Donor: 2
H-Bond Acceptor: 3
EINECS: 205-124-0
Index of Refraction: 1.784
Molar Refractivity: 60.87 cm3
Molar Volume: 144.5 cm3
Surface Tension: 82.5 dyne/cm
Density: 2.697 g/cm3
Flash Point: 184.1 °C
Enthalpy of Vaporization: 66.35 kJ/mol
Boiling Point: 380.8 °C at 760 mmHg
Vapour Pressure: 1.77E-06 mmHg at 25 °C
Appearance: Off-white to beige or grey powder
Melting Point: 220-230 °C (dec.)(lit.)
Water Solubility: 0.02 g/100mL (25 °C)
Sensitive: Light Sensitive
Classification Code: Agricultural Chemical; Drug / Therapeutic Agent; Experimental pesticide; Unspecified / Unclassified pesticide
Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Organic acids
3,5-Diiodosalicylic acid Uses
3,5-Diiodosalicylic acid (CAS NO.133-91-5) is used as an intermediate for veterinary anthelmintic agents (closentel and rafoxanide). It is also used as food source of iodine.
3,5-Diiodosalicylic acid Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 450mg/kg (450mg/kg) | Quarterly Journal of Pharmacy & Pharmacology. Vol. 19, Pg. 483, 1946. | |
| rat | LDLo | oral | 500mg/kg (500mg/kg) | National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 8, 1953. |
3,5-Diiodosalicylic acid Consensus Reports
Reported in EPA TSCA Inventory.
3,5-Diiodosalicylic acid Safety Profile
Safety Information of 3,5-Diiodosalicylic acid (CAS NO.133-91-5):
Hazard Codes :
Xn,
Xi
Risk Statements : 20/21/22-36/37/38-22
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
R22:Harmful if swallowed.
Safety Statements : 26-36-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany : 3
RTECS : VO2800000
F : 8 (Photosensitive)
Moderately toxic by ingestion. A trace mineral added to animal feeds. When heated to decomposition it emits toxic fumes of I−.
3,5-Diiodosalicylic acid Standards and Recommendations
ASSAY: 99.0% min
MOISTURE: 0.5% max
ASH: 0.5% max
3,5-Diiodosalicylic acid Specification
3,5-Diiodosalicylic acid (CAS NO.133-91-5), its Synonyms are 2-Hydroxy-3,5-diiodobenzenecarboxylic acid ; 2-Hydroxy-3,5-diiodobenzoate ; 2-Hydroxy-3,5-diiodobenzoic acid ; 3,5-Diiodo-2-hydroxybenzoic acid ; 3,5-Diiodosalicylate ; Benzoic acid, 3,5-diiodo-2-hydroxy- ; Salicylic acid, 3,5-diiodo- .
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