The 2-(3, 4-Dimethoxystyryl)-4, 6-bis(trichloromethyl)-1, 3, 5-triazine, with the CAS registry number of 42880-07-9, is also known as 2-[(E)-2-(3, 4-Dimethoxyphenyl)vinyl]-4, 6-bis(trichloromethyl)-1, 3, 5-triazine. It belongs to the product categories of Functional Materials; Photopolymerization Initiators. This chemical's molecular formula is C15H11Cl6N3O2 and molecular weight is 477.98. What's more, its systematic name is called 2-[(E)-2-(3, 4-Dimethoxyphenyl)ethenyl]-4, 6-bis(trichloromethyl)-1, 3, 5-triazine.
Physical properties about 2-(3, 4-Dimethoxystyryl)-4, 6-bis(trichloromethyl)-1, 3, 5-triazine are: (1)ACD/LogP: 3.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 7561; (6)ACD/BCF (pH 7.4): 7561; (7)ACD/KOC (pH 5.5): 20791; (8)ACD/KOC (pH 7.4): 20791; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 57.13 Å2; (13)Index of Refraction: 1.641; (14)Molar Refractivity: 109.35 cm3; (15)Molar Volume: 302.959 cm3; (16)Surface Tension: 55.192 dyne/cm; (17)Density: 1.578 g/cm3; (18)Flash Point: 275.633 °C; (19)Enthalpy of Vaporization: 77.748 kJ/mol; (20)Boiling Point: 532.147 °C at 760 mmHg; (21)Vapour Pressure: 0 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: ClC(Cl)(Cl)c2nc(/C=C/c1ccc(OC)c(OC)c1)nc(n2)C(Cl)(Cl)Cl
(2) InChI: InChI=1/C15H11Cl6N3O2/c1-25-9-5-3-8(7-10(9)26-2)4-6-11-22-12(14(16,17)18)24-13(23-11)15(19,20)21/h3-7H,1-2H3/b6-4+
(3) InChIKey: ZJRNXDIVAGHETA-GQCTYLIABL
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