BISPHENOL A-(3-CHLORO-2-HYDROXYPROPYL)-&

The systematic name of 2-[4-(3-Chloro-2-hydroxypropyloxy)phenyl]-2-[4-(2,3-dihydroxypropyloxy)phenyl]propane is 3-(4-{1-[4-(3-chloro-2-hydroxypropoxy)phenyl]-1-methylethyl}phenoxy)propane-1,2-diol. With the CAS registry number 227947-06-0, it is also named as Bisphenol A (3-chloro-2-hydroxypropyl) (2,3-dihydroxypropyl) ether. The product should be stored at 2-8 °C. In addition, its molecular formula is C₂₁H₂₇ClO₅ and molecular weight is 394.892.

The other characteristics of 2-[4-(3-Chloro-2-hydroxypropyloxy)phenyl]-2-[4-(2,3-dihydroxypropyloxy)phenyl]propane can be summarized as: (1)ACD/LogP: 2.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.99; (4)ACD/LogD (pH 7.4): 2.99; (5)ACD/BCF (pH 5.5): 109.34; (6)ACD/BCF (pH 7.4): 109.34; (7)ACD/KOC (pH 5.5): 1002.22; (8)ACD/KOC (pH 7.4): 1002.21; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 46.15 Å²; (13)Index of Refraction: 1.571; (14)Molar Refractivity: 105.66 cm³; (15)Molar Volume: 321.3 cm³; (16)Polarizability: 41.88×10^-24cm³; (17)Surface Tension: 47.9 dyne/cm; (18)Density: 1.228 g/cm³; (19)Flash Point: 317.2 °C; (20)Enthalpy of Vaporization: 94.05 kJ/mol; (21)Boiling Point: 601 °C at 760 mmHg; (22)Vapour Pressure: 2.72E-15 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
(1)SMILES: ClCC(O)COc1ccc(cc1)C(c2ccc(OCC(O)CO)cc2)(C)C
(2)InChI: InChI=1/C21H27ClO5/c1-21(2,15-3-7-19(8-4-15)26-13-17(24)11-22)16-5-9-20(10-6-16)27-14-18(25)12-23/h3-10,17-18,23-25H,11-14H2,1-2H3
(3)InChIKey: HDTYUHNZRYZEEB-UHFFFAOYAC