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Cas Database |
| Name |
1-Bromo-2,3,4,5-tetrafluorobenzene |
EINECS | 214-048-7 |
| CAS No. | 1074-91-5 | Density | 1.869 g/cm3 |
| PSA | 0.00000 | LogP | 3.00550 |
| Solubility | N/A | Melting Point |
149-150 °C |
| Formula | C6HBrF4 | Boiling Point | 147.3 °C at 760 mmHg |
| Molecular Weight | 228.972 | Flash Point | 54.6 °C |
| Transport Information | N/A | Appearance | colorless transparent liquid |
| Safety | 16-26-36/37/39 | Risk Codes | 10-36/37/38 |
| Molecular Structure |
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Hazard Symbols |
 Xi
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| Synonyms |
1-Bromo-2,3,4,5-tetrafluorobenzene;2,3,4,5-Tetrafluorophenyl bromide; |
Article Data | 14 |
1-Bromo-2,3,4,5-tetrafluorobenzene Specification
The 1-Bromo-2,3,4,5-tetrafluorobenzene is an organic compound with the formula C6HBrF4. The systematic/IUPAC name of this chemical is 1-bromo-2,3,4,5-tetrafluorobenzene. With the CAS registry number 1074-91-5, it is also named as 2,3,4,5-Tetrafluorobromobenzene. The product's categories are Aryl; C6; Halogenated Hydrocarbons. Besides, it is a colorless transparent liquid, which should be stored at room temperature.
Physical properties about 1-Bromo-2,3,4,5-tetrafluorobenzene are: (1)ACD/LogP: 2.90; (2)ACD/LogD (pH 5.5): 2.9; (3)ACD/LogD (pH 7.4): 2.9; (4)ACD/BCF (pH 5.5): 93.78; (5)ACD/BCF (pH 7.4): 93.78; (6)ACD/KOC (pH 5.5): 897.96; (7)ACD/KOC (pH 7.4): 897.96; (8)Index of Refraction: 1.466; (9)Molar Refractivity: 33.91 cm3; (10)Molar Volume: 122.4 cm3; (11)Polarizability: 13.44×10-24cm3; (12)Surface Tension: 29.8 dyne/cm; (13)Density: 1.869 g/cm3; (14)Flash Point: 54.6 °C; (15)Enthalpy of Vaporization: 36.84 kJ/mol; (16)Boiling Point: 147.3 °C at 760 mmHg; (17)Vapour Pressure: 5.65 mmHg at 25°C.
Preparation: this chemical can be prepared by 1,2-dibromo-3,4,5,6-tetrafluorobenzene. This reaction will need solvent Zn and AcOH by heating.
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Uses of 1-Bromo-2,3,4,5-tetrafluorobenzene: it can be used to produce 1.2.3.4-Tetrafluor-5-phenylmercaptobenzol by heating. It will need solvent dimethylformamide with reaction time of 23 hours. The yield is about 77%.
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When you are using this chemical, please be cautious about it as the following:
It is Flammable. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection, and keep away from sources of ignition - No smoking . In case of 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: Fc1c(F)c(F)cc(Br)c1F
(2)InChI: InChI=1/C6HBrF4/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
(3)InChIKey: BUYSIDPAOVWMQX-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C6HBrF4/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
(5)Std. InChIKey: BUYSIDPAOVWMQX-UHFFFAOYSA-N
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