The trans-Stilbene oxide, with the CAS registry number 1439-07-2, is also called trans-α,α'-Epoxybibenzyl. It is a kind of white to light yellow crystal powder, and belongs to the following product categories: Chiral; Oxiranes; Simple 3-Membered Ring Compounds. And the molecular formula of the chemical is C14H12O.
The characteristics of this chemical are as followings: (1)ACD/LogP: 3.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.39; (4)ACD/LogD (pH 7.4): 3.39; (5)ACD/BCF (pH 5.5): 220.53; (6)ACD/BCF (pH 7.4): 220.53; (7)ACD/KOC (pH 5.5): 1656.03; (8)ACD/KOC (pH 7.4): 1656.03; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.53 Å2; (13)Index of Refraction: 1.608; (14)Molar Refractivity: 59.71 cm3; (15)Molar Volume: 172.6 cm3; (16)Polarizability: 23.67×10-24cm3; (17)Surface Tension: 46.7 dyne/cm; (18)Density: 1.136 g/cm3; (19)Flash Point: 133.4 °C; (20)Enthalpy of Vaporization: 52.31 kJ/mol; (21)Boiling Point: 304.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00157 mmHg at 25°C.
You should be cautious while dealing with this chemical. It is a kind of flammable chemical, and irritates to eyes, respiratory system and skin. Therefore, you should not breathe dust and then try to avoid contacting with skin and eyes.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O2C(c1ccccc1)C2c3ccccc3
(2)InChI: InChI=1/C14H12O/c1-3-7-11(8-4-1)13-14(15-13)12-9-5-2-6-10-12/h1-10,13-14H
(3)InChIKey: ARCJQKUWGAZPFX-UHFFFAOYAV
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