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| CAS No.: | 2277-92-1 |
|---|---|
| Name: | Oxyclozanide |
| Molecular Structure: | |
|
|
|
| Formula: | C13H6Cl5NO3 |
| Molecular Weight: | 401.461 |
| Synonyms: | Salicylanilide,3,3',5,5',6-pentachloro-2'-hydroxy- (7CI,8CI);3,3',5,5',6-Pentachloro-2,2'-dihydroxybenzanilide;3,3',5,5',6-Pentachloro-2'-hydroxysalicylanilide;3,5,6,3',5'-Pentachloro-2,2'-dihydroxybenzanilide;Diplin;ICI 46638;Oxyclozanid;Zanil;Zanilox; |
| EINECS: | 218-904-0 |
| Density: | 1.784 g/cm3 |
| Melting Point: | 77-81 °C |
| Boiling Point: | 446 °C at 760 mmHg |
| Flash Point: | 223.5 °C |
| Solubility: | 29mg/L(25 oC) |
| Appearance: | white to yellowish powder |
| Hazard Symbols: |
 Xn, N, Xi
|
| Risk Codes: | 22-50/53-36/37/38 |
| Safety: | 60-61-36-26 |
| Transport Information: | UN 3077 |
| PSA: | 69.56000 |
| LogP: | 5.69010 |
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| Conditions | Yield |
|---|---|
| at 20℃; for 168h; |
| Conditions | Yield |
|---|---|
| at 20℃; for 168h; |
| Conditions | Yield |
|---|---|
| at 20℃; for 168h; |
| Conditions | Yield |
|---|---|
| at 20℃; for 168h; |
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Specification
The Oxyclozanide is an organic compound with the formula C13H6Cl5NO3. The IUPAC name of this chemical is 2,3,5-trichloro-N-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide. With the CAS registry number 2277-92-1, it is also named as 2,2'-Dihydroxy-3,3',5,5',6-pentachlorobenzanilide. The product's classification codes are Anthelmintics; Anti-Infective Agents; Antiparasitic Agents; Antiplatyhelmintic agents; Drug / Therapeutic Agent. Besides, it should be stored at temperature of 0 - 6 °C. It is a salicylanilide anthelmintic. It is used in the treatment and control of Fascioliasis in ruminants mainly domestic animals like Cattle, Sheep and Goats.
Physical properties about Oxyclozanide are: (1)ACD/LogP: 8.67; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.16; (4)ACD/LogD (pH 7.4): 6.19; (5)ACD/BCF (pH 5.5): 706340; (6)ACD/BCF (pH 7.4): 7634.49; (7)ACD/KOC (pH 5.5): 382470.31; (8)ACD/KOC (pH 7.4): 4133.94; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.722; (14)Molar Refractivity: 89.06 cm3; (15)Molar Volume: 224.9 cm3; (16)Polarizability: 35.3×10-24cm3; (17)Surface Tension: 72.4 dyne/cm; (18)Density: 1.784 g/cm3; (19)Flash Point: 223.5 °C; (20)Enthalpy of Vaporization: 73.12 kJ/mol; (21)Boiling Point: 446 °C at 760 mmHg; (22)Vapour Pressure: 1.43E-08 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. This material and its container must be disposed of as hazardous waste.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2c(C(=O)Nc1cc(Cl)cc(Cl)c1O)c(O)c(Cl)cc2Cl
(2)InChI: InChI=1/C13H6Cl5NO3/c14-4-1-6(16)11(20)8(2-4)19-13(22)9-10(18)5(15)3-7(17)12(9)21/h1-3,20-21H,(H,19,22)
(3)InChIKey: JYWIYHUXVMAGLG-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C13H6Cl5NO3/c14-4-1-6(16)11(20)8(2-4)19-13(22)9-10(18)5(15)3-7(17)12(9)21/h1-3,20-21H,(H,19,22)
(5)Std. InChIKey: JYWIYHUXVMAGLG-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| cattle | LDLo | oral | 60mg/kg (60mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: COMA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Veterinary Record. Vol. 78, Pg. 267, 1966. |
| domestic animals - goat/sheep | LDLo | intravenous | 10mg/kg (10mg/kg) | Veterinary Record. Vol. 78, Pg. 267, 1966. | |
| domestic animals - goat/sheep | LDLo | oral | 60mg/kg (60mg/kg) | BEHAVIORAL: MUSCLE WEAKNESS GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Veterinary Record. Vol. 78, Pg. 267, 1966. |
| rat | LD50 | oral | 1gm/kg (1000mg/kg) | Nature. Vol. 210, Pg. 744, 1966. |