The Dichloro-[3-[2-(chloromethyl)phenyl]propyl]silicon, with the CAS registry number 81870-64-6 and EINECS registry number 279-841-2, is also called Dichloro(2-((chloromethyl)phenyl)ethyl)methylsilane. And the molecular formula of the chemical is C10H13Cl3Si.
The characteristics of Dichloro-[3-[2-(chloromethyl)phenyl]propyl]silicon are as followings: (1)ACD/LogP: 5.64; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.64; (4)ACD/LogD (pH 7.4): 5.64; (5)ACD/BCF (pH 5.5): 11464.96; (6)ACD/BCF (pH 7.4): 11464.96; (7)ACD/KOC (pH 5.5): 28008.35; (8)ACD/KOC (pH 7.4): 28008.35; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.522; (13)Molar Refractivity: 68.61 cm3; (14)Molar Volume: 224.9 cm3; (15)Polarizability: 27.2×10-24cm3; (16)Surface Tension: 31.9 dyne/cm; (17)Density: 1.189 g/cm3; (18)Flash Point: 139.9 °C; (19)Enthalpy of Vaporization: 51.54 kJ/mol; (20)Boiling Point: 297 °C at 760 mmHg; (21)Vapour Pressure: 0.00245 mmHg at 25°C.
You should be cautious while dealing with this chemical. It may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: ClCc1ccccc1CC[Si](C)(Cl)Cl
(2)InChI: InChI=1/C10H13Cl3Si/c1-14(12,13)7-6-9-4-2-3-5-10(9)8-11/h2-5H,6-8H2,1H3
(3)InChIKey: NFMVYTPKEZAHLZ-UHFFFAOYAI
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