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Azocyclotin

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Name

Azocyclotin

EINECS 255-209-1
CAS No. 41083-11-8 Density N/A
PSA 30.71000 LogP 6.07460
Solubility 0.12 mg l-1 (20 °C) Melting Point 210 °C
Formula C20H35N3Sn Boiling Point 487.4 °C at 760 mmHg
Molecular Weight 436.228 Flash Point 248.6 °C
Transport Information UN 2786 Appearance white, light, yellow crystal powder
Safety 26-28-36/37/39-38-45-60-61 Risk Codes 25-26-37/38-41-50/53
Molecular Structure Molecular Structure of 41083-11-8 (Azocyclotin) Hazard Symbols VeryT+, DangerousN
Synonyms

1-(Tricyclohexylstannyl)-1H-1,2,4-triazole;BAY-BUE 1452;Peropal;Tricyclotin;

Article Data 4

Azocyclotin Standards and Recommendations

OSHA PEL: TWA 0.1 mg(Sn)/m3 (skin)
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

Azocyclotin Analytical Methods

For occupational chemical analysis use NIOSH: Organotin Compounds 5504.

Azocyclotin 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,

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