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CAS No.: | 319-88-0 |
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Name: | 1,3,5-Trichloro-2,4,6-trifluorobenzene |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C6Cl3F3 |
Molecular Weight: | 235.42 |
Synonyms: | 1,3, 5-Trichlorotrifluorobenzene;1,3,5-Trichloro-2,4,6-trifluorobenzene;2,4,6-Trifluorotrichlorobenzene;sym-Trichlorotrifluorobenzene;sym-Trifluorotrichlorobenzene; |
EINECS: | 206-273-4 |
Density: | 1.706 g/cm3 |
Melting Point: | 62-64 °C(lit.) |
Boiling Point: | 199.7 °C at 760 mmHg |
Flash Point: | 102.2 °C |
Appearance: | White to off-white crystals |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 0.00000 |
LogP: | 4.06410 |
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The Benzene,1,3,5-trichloro-2,4,6-trifluoro-, with the CAS registry number 319-88-0, is also known as 2,4,6-Trifluorotrichlorobenzene. Its EINECS number is 206-273-4. This chemical's molecular formula is C6Cl3F3 and molecular weight is 235.42. What's more, its IUPAC name is 1,3,5-trichloro-2,4,6-trifluorobenzene.
Physical properties of Benzene,1,3,5-trichloro-2,4,6-trifluoro- are: (1)ACD/LogP: 4.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.81; (4)ACD/LogD (pH 7.4): 4.81; (5)ACD/BCF (pH 5.5): 2685.52; (6)ACD/BCF (pH 7.4): 2685.52; (7)ACD/KOC (pH 5.5): 9910.47; (8)ACD/KOC (pH 7.4): 9910.47; (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: 1.505; (14)Molar Refractivity: 40.91 cm3; (15)Molar Volume: 137.9 cm3; (16)Polarizability: 16.22×10-24cm3; (17)Surface Tension: 35.3 dyne/cm; (18)Density: 1.706 g/cm3; (19)Flash Point: 102.2 °C; (20)Enthalpy of Vaporization: 41.81 kJ/mol; (21)Boiling Point: 199.7 °C at 760 mmHg; (22)Vapour Pressure: 0.477 mmHg at 25°C.
Preparation: this chemical can be prepared by hexachlorobenzene at the temperature of 190°C. This reaction will need reagent KF and solvent tetrahydrothiophene 1,1-dioxide with the reaction time of 200 hours. The yield is about 83%.
Uses of Benzene,1,3,5-trichloro-2,4,6-trifluoro-: it can be used to produce (2,3,4,5,6-pentafluoro-phenyl)-(2,4,6-trichloro-3,5-difluoro-phenyl)-amine. It will need reagent sodium hydride and solvent diethyl ether. The yield is about 40%.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(F)c(Cl)c(F)c(Cl)c1F
(2)Std. InChI: InChI=1S/C6Cl3F3/c7-1-4(10)2(8)6(12)3(9)5(1)11
(3)Std. InChIKey: QPXZZPSKCVNHFW-UHFFFAOYSA-N