The 3,5-Dioxa-4-phospha-2-sila-6-stannadecane,6,6-dibutyl-2,2-dimethyl-4-[(trimethylsilyl)oxy]-, 4-oxide (9CI), with the CAS registry number 74785-85-6, is also known as Bis[(trimethylsilyl)tributyl]stannyl phosphate. It belongs to the product categories of Organometallic Reagents; Organotin; Organotins. This chemical's molecular formula is C18H45O4PSi2Sn and molecular weight is 531.4. What's more, its systematic name is tributylstannyl bis(trimethylsilyl) phosphate. Its storage temperature is 2-8 °C.
Physical properties of 3,5-Dioxa-4-phospha-2-sila-6-stannadecane,6,6-dibutyl-2,2-dimethyl-4-[(trimethylsilyl)oxy]-, 4-oxide (9CI) are: (1)ACD/LogP: 10.70; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 10.7; (4)ACD/LogD (pH 7.4): 10.7; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 54.57 Å2; (13)Flash Point: 210 °C; (14)Enthalpy of Vaporization: 65.18 kJ/mol; (15)Boiling Point: 423.7 °C at 760 mmHg; (16)Vapour Pressure: 5.4E-07 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is harmful in contact with skin and irritating to eyes and skin. On the other hand, there will be a danger of serious damage to health by prolonged exposure through inhalation and if swallowed. Additionally, it is very toxic to aquatic organisms, and it may cause long-term adverse effects in the aquatic environment. When using it, you should wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you should seek medical advice immediately (show the label where possible) and refer to special instructions/safety data sheet. This material and its container must be disposed of as hazardous waste in a safe way. What's more, you should avoid releasing it to the environment.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCC[Sn](CCCC)(CCCC)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C
(2)InChI: InChI=1/C6H19O4PSi2.3C4H9.Sn/c1-12(2,3)9-11(7,8)10-13(4,5)6;3*1-3-4-2;/h1-6H3,(H,7,8);3*1,3-4H2,2H3;/q;;;;+1/p-1/rC18H45O4PSi2Sn/c1-10-13-16-26(17-14-11-2,18-15-12-3)22-23(19,20-24(4,5)6)21-25(7,8)9/h10-18H2,1-9H3
(3)InChIKey: ASQKAZSYRUOBEU-BXILEPTRAY
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