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| CAS No.: | 41083-11-8 |
|---|---|
| Name: | Azocyclotin |
| Article Data: | 4 |
| Molecular Structure: | |
|
|
|
| Formula: | C20H35N3Sn |
| Molecular Weight: | 436.228 |
| Synonyms: | 1-(Tricyclohexylstannyl)-1H-1,2,4-triazole;BAY-BUE 1452;Peropal;Tricyclotin; |
| EINECS: | 255-209-1 |
| Melting Point: | 210 °C |
| Boiling Point: | 487.4 °C at 760 mmHg |
| Flash Point: | 248.6 °C |
| Solubility: | 0.12 mg l-1 (20 °C) |
| Appearance: | white, light, yellow crystal powder |
| Hazard Symbols: |
 T+,  N
|
| Risk Codes: | 25-26-37/38-41-50/53 |
| Safety: | 26-28-36/37/39-38-45-60-61 |
| Transport Information: | UN 2786 |
| PSA: | 30.71000 |
| LogP: | 6.07460 |
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Standards and Recommendations
ACGIH TLV: TWA 0.1 mg(Sn)/m3; STEL 0.2 mg(Sn)/m3 (skin).
NIOSH REL: (Organotin Compounds) TWA 0.1 mg(Sn)/m3
Analytical Methods
Specification
The CAS register number of Azocyclotin is 41083-11-8. It also can be called as 1-(Tricyclohexylstannyl)-1H-1,2,4-triazole and the IUPAC name about this chemical is tricyclohexyl(1,2,4-triazol-1-yl)stannane. The molecular formula about this chemical is C20H35N3Sn and the molecular weight is 436.21. It belongs to the following product categories, such as Insecticide; A-BPesticides & Metabolites; AR to AZ; A; AcaricidesAlphabetic; Alpha sort; Pesticides; Pesticides & Metabolites and so on. This chemical has been used as contact toxicity of acaricides killing the young mites, adult mites and summer eggs and other mites.
Physical properties about Azocyclotin are: (1)ACD/LogP: 5.30; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.3; (4)ACD/LogD (pH 7.4): 5.3; (5)#H bond acceptors: 3; (6)#Freely Rotating Bonds: 4; (7)Polar Surface Area: 30.71Å2; (8)Flash Point: 248.6 °C; (9)Enthalpy of Vaporization: 75.33 kJ/mol; (10)Boiling Point: 487.4 °C at 760 mmHg; (11)Vapour Pressure: 1.19E-09 mmHg at 25°C.
Azocyclotin can be produced by the reaction of tin tetrachloride and cyclohexane for chlorination and alkalinity, and then react with the 1,2,4 - triazole . Consumption of raw materials fixed: Chlorocyclohexane 1600kg / t, 1,2,4 - triazol-230kg / t, tin 400kg / t, chlorine 1600kg / t.
When you are using this chemical, please be cautious about it as the following:
This chemical is very toxic by inhalation and very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment, it is toxic if swallowed and it is irritating to respiratory system and skin, it has risk of serious damage to the eyes. When you are using it, wear suitable protective clothing, gloves and eye/face protection, you also need avoid release to the environment. Refer to special instructions / safety data sheets. . This material and its container must be disposed of as hazardous waste. After contact with skin, wash immediately with plenty of soap-suds. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice and in case of insufficient ventilation, wear suitable respiratory equipment, and also in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)SMILES: C1CC(CCC1)[Sn](n2cncn2)(C3CCCCC3)C4CCCCC4
(2)InChI: InChI=1/3C6H11.C2H2N3.Sn/c3*1-2-4-6-5-3-1;1-3-2-5-4-1;/h3*1H,2-6H2;1-2H;/q;;;-1;+1/rC20H35N3Sn/c1-4-10-18(11-5-1)24(23-17-21-16-22-23,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h16-20H,1-15H2
(3)InChIKey: ONHBDDJJTDTLIR-KZECZEIKAJ
(4)Std. InChI: InChI=1S/3C6H11.C2H2N3.Sn/c3*1-2-4-6-5-3-1;1-3-2-5-4-1;/h3*1H,2-6H2;1-2H;/q;;;-1;+1
(5)Std. InChIKey: ONHBDDJJTDTLIR-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| cat | LD50 | oral | 25mg/kg (25mg/kg) | LUNGS, THORAX, OR RESPIRATION: DYSPNEA LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | National Technical Information Service. Vol. OTS0543299, |
| chicken | LD50 | oral | 250mg/kg (250mg/kg) | "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A027, Pg. 1983, | |
| dog | LD50 | oral | 50mg/kg (50mg/kg) | LUNGS, THORAX, OR RESPIRATION: DYSPNEA LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | National Technical Information Service. Vol. OTS0543299, |
| guinea pig | LD50 | oral | 261mg/kg (261mg/kg) | "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A027, Pg. 1983, | |
| hamster | LC50 | inhalation | 5500ug/m3/4H (5.5mg/m3) | National Technical Information Service. Vol. OTS0543299, | |
| mouse | LC50 | inhalation | 35mg/m3/4H (35mg/m3) | National Technical Information Service. Vol. OTS0543299, | |
| mouse | LD50 | oral | 410mg/kg (410mg/kg) | "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A027, Pg. 1983, | |
| quail | LD50 | unreported | 144mg/kg (144mg/kg) | Farm Chemicals Handbook. Vol. -, Pg. C233, 1991. | |
| rabbit | LD50 | skin | > 5gm/kg (5000mg/kg) | Farm Chemicals Handbook. Vol. -, Pg. C233, 1991. | |
| rat | LC50 | inhalation | 17mg/m3/4H (17mg/m3) | LUNGS, THORAX, OR RESPIRATION: DYSPNEA LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | National Technical Information Service. Vol. OTS0543299, |
| rat | LD50 | intraperitoneal | 3540ug/kg (3.54mg/kg) | LUNGS, THORAX, OR RESPIRATION: DYSPNEA LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | National Technical Information Service. Vol. OTS0543299, |
| rat | LD50 | oral | 76mg/kg (76mg/kg) | LUNGS, THORAX, OR RESPIRATION: DYSPNEA LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | National Technical Information Service. Vol. OTS0543299, |
| rat | LD50 | skin | 1gm/kg (1000mg/kg) | LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" | National Technical Information Service. Vol. OTS0543299, |