Stannane,butylchlorodihydroxy- (13355-96-9)

The Butylchlorodihydroxytin with the cas number 13355-96-9 is also called Stannane,butylchlorodihydroxy-. The IUPAC name is butyl(chloro)tin dihydrate. Its EINECS registry number is 236-406-1. The molecular formula is C₄H₁₁ClO₂Sn.

The properties of the chemical are: (1)ACD/LogP: 5.83; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.3; (4)ACD/LogD (pH 7.4): 1.32 ; (5)#H bond acceptors: 2; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 40.46Ų; (9)Enthalpy of Vaporization: 55.81 kJ/mol; (10)Vapour Pressure: 0.00551 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is harmful by inhalation, in contact with skin and if swallowed. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCC[Sn](Cl)(O)O
(2)InChI: InChI=1/C4H9.ClH.2H2O.Sn/c1-3-4-2;;;;/h1,3-4H2,2H3;1H;2*1H2;/q;;;;+3/p-3/rC4H11ClO2Sn/c1-2-3-4-8(5,6)7/h6-7H,2-4H2,1H3
(3)InChIKey: FQYHHEJETOLDHR-IWLSINPGAV