The Benzenemethanol, 2-chloro-4-(trifluoromethyl)-, with the CAS registry number 56456-51-0, is also known as 2-Chlor-4-trifluoromethyl-benzylalcohol. This chemical's molecular formula is C8H6ClF3O and molecular weight is 210.58. What's more, its systematic name is [2-Chloro-4-(trifluoromethyl)phenyl]methanol.
Physical properties about Benzenemethanol, 2-chloro-4-(trifluoromethyl)- are: (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.4; (4)ACD/LogD (pH 7.4): 2.4; (5)#H bond acceptors: 1; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 2 ; (8)Polar Surface Area: 20.23 Å2; (9)Index of Refraction: 1.484; (10)Molar Refractivity: 42.57 cm3; (11)Molar Volume: 148.7 cm3 ; (12)Polarizability: 16.87×10-24 cm3; (13)Surface Tension: 32 dyne/cm; (14)Density: 1.416 g/cm3; (15)Flash Point: 90.8 °C; (16)Enthalpy of Vaporization: 48.94 kJ/mol; (17)Boiling Point: 226.5 °C at 760 mmHg; (18)Vapour Pressure: 0.0461 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(c(cc1C(F)(F)F)Cl)CO
(2) InChI: InChI=1/C8H6ClF3O/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-3,13H,4H2
(3) InChIKey: GMZPPTCATYZORA-UHFFFAOYAY
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