Hazard Codes | Xi |
Risk Statements | 10-36/37/38 |
Safety Statements | 26-36/37 |
RIDADR | UN 1993 3/PG 3 |
WGK Germany | 3 |
Hazard Note | Light Sensitive/Irritant |
HazardClass | 3.2 |
PackingGroup | III |
The 4-(Trifluoromethyl)styrene with cas registry number of 402-50-6, has the systematic name of 1-ethenyl-4-(trifluoromethyl)benzene. And it is also named benzene, 1-ethenyl-4-(trifluoromethyl)-. Its refractive index is 1.466. And this chemical should store at the temperature of 2-8°C.
Physical properties about this chemical are: (1)ACD/LogP: 3.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.66; (4)ACD/LogD (pH 7.4): 3.66; (5)ACD/BCF (pH 5.5): 354.2; (6)ACD/BCF (pH 7.4): 354.2; (7)ACD/KOC (pH 5.5): 2324.67; (8)ACD/KOC (pH 7.4): 2324.67; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.478; (14)Molar Refractivity: 42.15 cm3; (15)Molar Volume: 148.8 cm3; (16)Polarizability: 16.71×10-24cm3; (17)Surface Tension: 23.9 dyne/cm; (18)Enthalpy of Vaporization: 37.15 kJ/mol; (19)Vapour Pressure: 4.85 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Trimesic acid irritates to eyes, respiratory system and skin. And this chemical is flammable. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: FC(F)(F)c1ccc(\C=C)cc1;
(2)InChI: InChI=1/C9H7F3/c1-2-7-3-5-8(6-4-7)9(10,11)12/h2-6H,1H2;
(3)InChIKey: CEWDRCQPGANDRS-UHFFFAOYAL;
(4)Std. InChI: InChI=1S/C9H7F3/c1-2-7-3-5-8(6-4-7)9(10,11)12/h2-6H,1H2;
(5)Std. InChIKey: CEWDRCQPGANDRS-UHFFFAOYSA-N
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