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CAS No.: | 122030-04-0 |
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Name: | 2,4,6-TRIFLUOROBENZOTRIFLUORIDE |
Molecular Structure: | |
Formula: | C7H2F6 |
Molecular Weight: | 200.08 |
Synonyms: | 1,3,5-Trifluoro-2-(trifluoromethyl)benzene;2,4,6-Trifluoro-1-(trifluoromethyl)benzene;2,4,6-Trifluorobenzo trifluoride;2,4,6-Trifluorobenzotrifluoride;1,3,5-trifluoro-2-(trifluoromethyl)benzene;1,3,5-trifluoro-2-(trifluoromethyl)benzene;benzene, 1,3,5-trifluoro-2-(trifluoromethyl)-; |
EINECS: | -0 |
Density: | 1.475 g/cm3 |
Boiling Point: | 107.6 °C at 760 mmHg |
Flash Point: | 21.4 °C |
Solubility: | Not miscible or difficult to mix in water. |
Appearance: | clear colorless to slightly yellow liquid |
Hazard Symbols: | Xi |
Risk Codes: | 11-36/37/38 |
Safety: | 26-36 |
Transport Information: | UN 1993 3/PG 3 |
PSA: | 0.00000 |
LogP: | 3.12270 |
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The Benzene,1,3,5-trifluoro-2-(trifluoromethyl)-, with the CAS registry number 122030-04-0, has the systematic name of 1,3,5-trifluoro-2-(trifluoromethyl)benzene. It is a kind of clear colorless to slightly yellow liquid, and belongs to the following product categories: Aryl; C7; Halogenated Hydrocarbons. And the molecular formula of the chemical is C7H2F6.
The characteristics of Benzene,1,3,5-trifluoro-2-(trifluoromethyl)- are as followings: (1)ACD/LogP: 3.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.22; (4)ACD/LogD (pH 7.4): 3.22; (5)ACD/BCF (pH 5.5): 164.13; (6)ACD/BCF (pH 7.4): 164.13; (7)ACD/KOC (pH 5.5): 1340.4; (8)ACD/KOC (pH 7.4): 1340.4; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.377; (14)Molar Refractivity: 31.21 cm3; (15)Molar Volume: 135.5 cm3; (16)Polarizability: 12.37×10-24cm3; (17)Surface Tension: 19.7 dyne/cm; (18)Density: 1.475 g/cm3; (19)Flash Point: 21.4 °C; (20)Enthalpy of Vaporization: 33.21 kJ/mol; (21)Boiling Point: 107.6 °C at 760 mmHg; (22)Vapour Pressure: 31.5 mmHg at 25°C.
You should be cautious while dealing with this chemical. It is a kind of flammable chemical which irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(F)c1c(F)cc(F)cc1F
(2)InChI: InChI=1/C7H2F6/c8-3-1-4(9)6(5(10)2-3)7(11,12)13/h1-2H
(3)InChIKey: SGPXFVDJRSZIPK-UHFFFAOYAU