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| CAS No.: | 14437-41-3 |
|---|---|
| Name: | clioxanide |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C15H10 Cl I2 N O3 |
| Molecular Weight: | 541.511 |
| Synonyms: | Salicylanilide,4'-chloro-3,5-diiodo-, acetate (ester) (8CI);2-Acetoxy-4'-chloro-3,5-diiodobenzanilide; 4'-Chloro-3,5-diiodosalicylanilideacetate; C.I. 633; Clioxanide; NSC 233846; SYD 230; Tremerad |
| Density: | 2.066g/cm3 |
| Melting Point: | 215-216° |
| Boiling Point: | 496.8°Cat760mmHg |
| Flash Point: | 254.3°C |
| Safety: | Moderately toxic by ingestion and intraperitoneal routes. Used in treatment against parasitic worms. When heated to decomposition it emits very toxic fumes of Cl−, I−, and NOx. |
| PSA: | 55.40000 |
| LogP: | 4.79980 |
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Chemistry
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IUPAC: [2-[(4-chlorophenyl)carbamoyl]-4,6-diiodophenyl] acetate
Molecular Formula: C15H10ClI2NO3
Molecular Weight: 541.506740 g/mol
Canonical SMILES: CC(=O)OC1=C(C=C(C=C1C(=O)NC2=CC=C(C=C2)Cl)I)I
InChI: InChI=1S/C15H10ClI2NO3/c1-8(20)22-14-12(6-10(17)7-13(14)18)15(21)19-11-4-2-9(16)3-5-11/h2-7H,1H3,(H,19,21)
EINECS: 238-414-0
XLogP3-AA: 4.4
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 4
Tautomer Count: 2
Exact Mass: 540.843857
MonoIsotopic Mass: 540.843857
Topological Polar Surface Area: 55.4
Heavy Atom Count: 22
Complexity: 416
Classification Code: Anthelmintic,Drug / Therapeutic Agent
Index of Refraction: 1.714
Molar Refractivity: 102.87 cm3
Molar Volume: 262 cm3
Polarizability: 40.78×10-24cm3
Surface Tension: 62 dyne/cm
Density: 2.066 g/cm3
Flash Point: 254.3 °C
Enthalpy of Vaporization: 76.46 kJ/mol
Boiling Point: 496.8 °C at 760 mmHg
Melting Point: 215.5 °C
log P (octanol-water): 5.280
Atmospheric OH Rate Constant: 3.93E-12 cm3/mol
Vapour Pressure of Clioxanide (CAS NO.14437-41-3): 5.24E-10 mmHg at 25 °C
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| domestic animals - goat/sheep | LD50 | unreported | 414mg/kg (414mg/kg) | BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA | Australian Veterinary Journal. Vol. 46, Pg. 297, 1970. |
| mouse | LD50 | intraperitoneal | 720mg/kg (720mg/kg) | BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA | Australian Veterinary Journal. Vol. 46, Pg. 297, 1970. |
| mouse | LD50 | oral | > 5gm/kg (5000mg/kg) | Australian Veterinary Journal. Vol. 46, Pg. 297, 1970. | |
| rat | LD50 | oral | > 5gm/kg (5000mg/kg) | Australian Veterinary Journal. Vol. 46, Pg. 297, 1970. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Moderately toxic by ingestion and intraperitoneal routes. Used in treatment against parasitic worms. When heated to decomposition Clioxanide (CAS NO.14437-41-3) emits very toxic fumes of Cl−, I−, and NOx.
Specification
Clioxanide (CAS NO.14437-41-3) can be called 4'-Chloro-3,5-diiodosalicylanilide acetate ; Benzamide, 2-(acetyloxy)-N-(4-chlorophenyl)-3,5-diiodo- ; Salicylanilide, 4'-chloro-3,5-diiodo-, acetate ester ; 2-(4-Chlorphenylcarbamoyl)-4,6-diodphenyl acetat ; 2-Acetoxy-3,5-diiodo-4'-chlorobenzanilide ; 2-Acetoxy-4'-chloro-3,5-di-iodobenzanilide and so on.