CAS: 139989-80-3

Risk Codes:

Safety:

RTECS :

DG0875000

The Benzene, (chlorohexylmethylsilyl)-, with the CAS registry number 139989-80-3, is also known as Phenylhexylmethyl chlorosilane. This chemical's molecular formula is C₁₃H₂₁ClSi and molecular weight is 240.84. What's more, its systematic name is chloro-hexyl-methyl-phenyl-silane.

Physical properties of Benzene, (chlorohexylmethylsilyl)- are: (1)ACD/LogP: 6.58; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.58; (4)ACD/LogD (pH 7.4): 6.58; (5)#H bond acceptors: 0; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 6; (8)Index of Refraction: 1.488; (9)Molar Refractivity: 72.75 cm³; (10)Molar Volume: 252.2 cm³; (11)Polarizability: 28.84×10^-24cm³; (12)Surface Tension: 28.5 dyne/cm; (13)Density: 0.95 g/cm³; (14)Flash Point: 120.4 °C; (15)Enthalpy of Vaporization: 51.04 kJ/mol; (16)Boiling Point: 292.2 °C at 760 mmHg; (17)Vapour Pressure: 0.00325 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCCCC[Si](C)(c1ccccc1)Cl
(2)InChI: InChI=1S/C13H21ClSi/c1-3-4-5-9-12-15(2,14)13-10-7-6-8-11-13/h6-8,10-11H,3-5,9,12H2,1-2H3
(3)InChIKey: YCAAMDYFQRZLBR-UHFFFAOYSA-N