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| CAS No.: | 2324-98-3 |
|---|---|
| Name: | 2,3,5,6-TETRAFLUOROANISOLE |
| Article Data: | 17 |
| Molecular Structure: | |
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| Formula: | C7H4F4O |
| Molecular Weight: | 180.102 |
| Synonyms: | 2,3,5,6-Tetrafluoroanisole;NSC 96891;Anisole,2,3,5,6-tetrafluoro- (7CI,8CI);1,2,4,5-Tetrafluoro-3-methoxybenzene; |
| EINECS: | 219-037-0 |
| Density: | 1.293 g/mL at 25 °C(lit.) |
| Melting Point: | 83-85 °C |
| Boiling Point: | 133.3 °C at 760 mmHg |
| Flash Point: | 107 °F |
| Appearance: | clear very slightly yellow liquid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 10-36/37/38 |
| Safety: | 16-26-36/37/39 |
| Transport Information: | UN 1993 3 |
| PSA: | 9.23000 |
| LogP: | 2.25160 |
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Specification
The Benzene,1,2,4,5-tetrafluoro-3-methoxy-, with the CAS registry number 2324-98-3, is also known as 2,3,5,6-Tetrafluoromethoxybenzene. It belongs to the product categories of Ethers; Organic Building Blocks; Oxygen Compounds. Its EINECS registry number is 219-037-0. This chemical's molecular formula is C7H4F4O and molecular weight is 180.099673. Its IUPAC name is called 1,2,4,5-tetrafluoro-3-methoxybenzene.
Physical properties of Benzene,1,2,4,5-tetrafluoro-3-methoxy-: (1)ACD/LogP: 2.37; (2)ACD/LogD (pH 5.5): 2.37; (3)ACD/LogD (pH 7.4): 2.37; (4)ACD/BCF (pH 5.5): 37.32; (5)ACD/BCF (pH 7.4): 37.32; (6)ACD/KOC (pH 5.5): 464.34; (7)ACD/KOC (pH 7.4): 464.34; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.419; (11)Molar Refractivity: 32.9 cm3; (12)Molar Volume: 130.2 cm3; (13)Surface Tension: 25.3 dyne/cm; (14)Density: 1.382 g/cm3; (15)Flash Point: 41.7 °C; (16)Enthalpy of Vaporization: 35.55 kJ/mol; (17)Boiling Point: 133.3 °C at 760 mmHg; (18)Vapour Pressure: 10.5 mmHg at 25°C.
Preparation: this chemical can be prepared by 1-bromo-2,3,5,6-tetrafluoro-4-methoxybenzene. This reaction is a kind of protodebromination. It will need reagent P(NEt2)3, H2O and solvent dimethylformamide. The reaction time is 10 min with reaction temperature of 20 °C. The yield is about 67%.
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Uses of Benzene,1,2,4,5-tetrafluoro-3-methoxy-: it can be used to produce 4,4'-dimethoxyoctafluorobiphenyl. This reaction will need reagent Et4NBF4 and solvent acetonitrile. The yield is about 65%.
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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. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=C(C(=CC(=C1F)F)F)F
(2)InChI: InChI=1S/C7H4F4O/c1-12-7-5(10)3(8)2-4(9)6(7)11/h2H,1H3
(3)InChIKey: AXCOCGJDERQVDK-UHFFFAOYSA-N