This chemical is called 1-Trimethoxysilyl-2-(p,m-chloromethyl)phenylethane, and its systematic name is {2-[4-(Chloromethyl)phenyl]ethyl}(trimethoxy)silane. With the molecular formula of C12H19ClO3Si, its molecular weight is 274.82. The CAS registry number of the chemical is 68128-25-6. Additionally, its product category is Silylating agent.
Other characteristics of 1-Trimethoxysilyl-2-(p,m-chloromethyl)phenylethane can be summarised as followings: (1)ACD/LogP: 2.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.6; (4)ACD/LogD (pH 7.4): 2.6; (5)ACD/BCF (pH 5.5): 55.46; (6)ACD/BCF (pH 7.4): 55.46; (7)ACD/KOC (pH 5.5): 616.54; (8)ACD/KOC (pH 7.4): 616.54; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.489; (14)Molar Refractivity: 73.41 cm3; (15)Molar Volume: 254.2 cm3; (16)Polarizability: 29.1×10-24cm3; (17)Surface Tension: 30.3 dyne/cm; (18)Density: 1.08 g/cm3; (19)Flash Point: 113.9 °C; (20)Enthalpy of Vaporization: 52.05 kJ/mol; (21)Boiling Point: 302 °C at 760 mmHg; (22)Vapour Pressure: 0.00182 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. Wear suitable protective clothing, gloves and eye/face protection when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: ClCc1ccc(cc1)CC[Si](OC)(OC)OC
2.InChI: InChI=1/C12H19ClO3Si/c1-14-17(15-2,16-3)9-8-11-4-6-12(10-13)7-5-11/h4-7H,8-10H2,1-3H3
3.InChIKey: IOLWRXMELRWXQY-UHFFFAOYAL
4.Std. InChI: InChI=1S/C12H19ClO3Si/c1-14-17(15-2,16-3)9-8-11-4-6-12(10-13)7-5-11/h4-7H,8-10H2,1-3H3
5.Std. InChIKey: IOLWRXMELRWXQY-UHFFFAOYSA-N
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