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| CAS No.: | 13356-08-6 |
|---|---|
| Name: | Fenbutatin oxide |
| Article Data: | 4 |
| Molecular Structure: | |
|
|
|
| Formula: | C60H78OSn2 |
| Molecular Weight: | 1052.7 |
| Synonyms: | Bis[tris(2-methyl-2-phenylpropyl)tin oxide;2-(Methyl-2-phenylpropyl)distannoxane;AI3-27738;BRN 4097400;Bis(tris(beta,beta-dimethylphenethyl)tin)oxide;Di(tri-(2,2-dimethyl-2-phenylethyl)tin)oxide; |
| EINECS: | 236-407-7 |
| Density: | 0.42 g/cm3 |
| Melting Point: | 142-145 °C |
| Boiling Point: | 849.8 °C at 760 mmHg |
| Flash Point: | 467.7 °C |
| Solubility: | insoluble in water and soluble in acetone, easily soluble in benzene, methylene chloride solvent |
| Appearance: | White crystalline with mild odor. |
| Hazard Symbols: |
 Xn, N, T+
|
| Risk Codes: | 21-36/38-50/53-26 |
| Safety: | 28-36/37-45-60-61 |
| Transport Information: | UN 2811 |
| PSA: | 9.23000 |
| LogP: | 16.76080 |
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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 Fenbutatin oxide with the cas number 13356-08-6, is also called tris(2-methyl-2-phenylpropyl)-tris(2-methyl-2-phenylpropyl)stannyloxystannane, which is also it's IUPAC name, and it's system Names are (1) Bis(tris(2-methyl-2-phenylpropyl)tin) oxide ; (2) Distannoxane, 1,1,1,3,3,3-hexakis(2-methyl-2-phenylpropyl)- ; (3) Distannoxane, hexakis(2-methyl-2-phenylpropyl)- ; (4) Distannoxane, hexakis(beta,beta-dimethylphenethyl)- ; (5) Hexakis(2-methyl-2-phenylpropyl)distannoxane. It belongs to the following Product Categories: (1)Organometallics; (2)fungicide. It is white crystalline solid with a mild odor and insoluble in water and soluble in acetone, easily soluble in benzene, methylene chloride solvent, etc. Light and heat stability, hydrolysis, hydrolysis product water can slow change into the original compounds again at room temperature (in 98 degrees Celsius can quickly change into the original compounds again). It is should be stored approx 4°C.
Physical properties about Fenbutatin oxide are: (1)ACD/LogP: 10.16 ; (2)# of Rule of 5 Violations: 2 ; (3)ACD/LogD (pH 5.5): 13 ; (4)ACD/LogD (pH 7.4): 13 ; (5)#H bond acceptors: 1 ; (6)#H bond donors: 0 ; (7)#Freely Rotating Bonds: 20 ; (8)Polar Surface Area: 9.23 Å2 ; (9)Flash Point: 467.717 °C ; (10)Enthalpy of Vaporization: 119.248 kJ/mol ; (11)Boiling Point: 849.758 °C at 760 mmHg ; (12)Vapour Pressure: 0 mmHg at 25°C
Uses of Fenbutatin oxide: It is a kind of temperature-sensitive organotin acaricide which mainly inhibit nerve tissue. It has high acaricidal activity, and mainly play a role in action of contact poisoning. Fenbutatin oxide has strong destructive power to protonymph, adult acarid, and nymph, but has lower destructive power to mites eggs. And it has no interactive drug resistance to harmful mite which is resistant to organophosphorus insecticides and organochlorine insecticides. It belongs temperature-sensitive organotin acaricide. Pesticide effect will increase when the temperature is above 22°C, while decrease when the temperature is below 22°C. The Pesticide effect is not good when it is 15°C below, besides, it is not unfavorable to be used in winter. It may take a long time to act after spraying pesticide action play slower, increase in 3 days, and activity can reach peak on 14th day. Residual period is long to reach 2-5 months. Processed into wetter powder and glue suspension agent, it can be used to form tea, fruit and flowers and other crops, and prevent from citrus mite, citrus rust mites, apple mite, mites, tea tea orange gall beard mites, chrysanthemum mite rose mite, etc.
When you are using this chemical, please be cautious about it as the following: It is quite harmful and irritating to eyes and skin. When you are using it, please wear suitable protective clothing and gloves. In case of contact with eyes and skin, wash immediately with plenty of soap-suds. If you feel unwell, seek medical advice immediately. In addition, it is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Hence, avoid release to the environment. Refer to special instructions / safety data sheets. Finally, this material and its container must be disposed of as hazardous waste out of children's reach.
You can still convert the following datas into molecular structure :
(1).SMILES: CC(C)(C[Sn](CC(C)(C)c1ccccc1)(CC(C)(C)c2ccccc2)O[Sn](CC(C)(C)c3ccccc3)(CC(C)(C)c4ccccc4)CC(C)(C)c5ccccc5)c6ccccc6
(2).InChI:InChI=1/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3;;;/rC60H78OSn2/c1-55(2,49-31-19-13-20-32-49)43-62(44-56(3,4)50-33-21-14-22-34-50,45-57(5,6)51-35-23-15-24-36-51)61-63(46-58(7,8)52-37-25-16-26-38-52,47-59(9,10)53-39-27-17-28-40-53)48-60(11,12)54-41-29-18-30-42-54/h13-42H,43-48H2,1-12H3
Toxic information of Fenbutatin oxide can be showed as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LD50 | oral | > 1500mg/kg (1500mg/kg) | Pesticide Manual. Vol. 9, Pg. 364, 1991. | |
| mouse | LD50 | oral | 1450mg/kg (1450mg/kg) | Pesticide Manual. Vol. 9, Pg. 364, 1991. | |
| quail | LD50 | oral | 7ug/kg (0.007mg/kg) | Farm Chemicals Handbook. Vol. -, Pg. C135, 1991. | |
| rabbit | LD50 | skin | > 2gm/kg (2000mg/kg) | Pesticide Manual. Vol. 9, Pg. 364, 1991. | |
| rat | LD50 | oral | 2630mg/kg (2630mg/kg) | "Agricultural Chemicals," Thomson, W.T., 4 vols., Fresno, CA, Thomson Publications, 1976/77 revisionVol. 1, Pg. 17, 1977. | |
| rat | LD50 | skin | 1gm/kg (1000mg/kg) | Tin and Its Uses. Vol. 110, Pg. 6, 1976. |