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| CAS No.: | 4232-66-0 |
|---|---|
| Name: | 4-CHLOROTETRAFLUOROPHENOL |
| Molecular Structure: | |
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|
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| Formula: | C6HClF4O |
| Molecular Weight: | 200.52 |
| Synonyms: | 4-Chloro-2,3,5,6-tetrafluorophenol;p-Chlorotetrafluorophenol;2,3,5,6-Tetrafluoro-4-chlorophenol; |
| Density: | 1.718 g/cm3 |
| Melting Point: | 37-38 °C |
| Boiling Point: | 177.2 °C at 760 mmHg |
| Flash Point: | 61 °C |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34-36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 20.23000 |
| LogP: | 2.60200 |
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Specification
The Phenol,4-chloro-2,3,5,6-tetrafluoro-, with the CAS registry number 4232-66-0, is also known as 2,3,5,6-Tetrafluoro-4-chlorophenol. This chemical's molecular formula is C6HClF4O and molecular weight is 200.52. What's more, its systematic name is 4-Chloro-2,3,5,6-tetrafluorophenol and it belongs to the product category of Phenol &Thiophenol &Mercaptan.
Physical properties of Phenol,4-chloro-2,3,5,6-tetrafluoro- are: (1)ACD/LogP: 3.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.56; (4)ACD/LogD (pH 7.4): 0.85; (5)ACD/BCF (pH 5.5): 37.32; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 316.04; (8)ACD/KOC (pH 7.4): 6.19; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.477; (14)Molar Refractivity: 33 cm3; (15)Molar Volume: 116.6 cm3; (16)Polarizability: 13.08×10-24 cm3; (17)Surface Tension: 36.4 dyne/cm; (18)Density: 1.718 g/cm3; (19)Flash Point: 61 °C; (20)Enthalpy of Vaporization: 43.05 kJ/mol; (21)Boiling Point: 177.2 °C at 760 mmHg; (22)Vapour Pressure: 0.781 mmHg at 25°C.
Uses of Phenol,4-chloro-2,3,5,6-tetrafluoro-: it can be used to produce 1-(p-Chlorotetrafluorophenyl)-2-phenylacetylene at the temperature of 80 °C. It will need reagents CHF2CF2OCF2CF2SO2F, NEt3 and solvent dimethylformamide with the reaction time of 13 hours. This reaction will also need catalyst Pd(PPh3)2Cl2, and the yield is about 84%.
When you are using this chemical, please be cautious about it as the following:
It causes burns and 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, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1(=C(C(=C(C(=C1F)F)Cl)F)F)O
(2)InChI: InChI=1S/C6HClF4O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
(3)InChIKey: DYRVFYHTONHQSA-UHFFFAOYSA-N