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| CAS No.: | 348-57-2 |
|---|---|
| Name: | 1-Bromo-2,4-difluorobenzene |
| Article Data: | 11 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H3BrF2 |
| Molecular Weight: | 192.991 |
| Synonyms: | 2,4-Difluoro-1-bromobenzene;2,4-Difluorobromobenzene;2,4-Difluorophenylbromide;4-Bromo-1,3-difluorobenzene; |
| EINECS: | 206-479-4 |
| Density: | 1.692 g/cm3 |
| Melting Point: | -4 °C |
| Boiling Point: | 148.4 °C at 760 mmHg |
| Flash Point: | 51.7 °C |
| Solubility: | insoluble in water |
| Appearance: | Clear colorless to brown liquid |
| Hazard Symbols: |
 Xi,  F
|
| Risk Codes: | 10-36/37/38 |
| Safety: | 16-26-36/37/39-37/39-36 |
| Transport Information: | UN 1993 3/PG 3 |
| PSA: | 0.00000 |
| LogP: | 2.72730 |
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Specification
The 1-Bromo-2,4-difluorobenzene with cas registry number of 348-57-2 is also known as 2,4-Difluorobromobenzene. It is a kind of clear colorless to brown liquid which has the EINECS registry number of 206-479-4. Both its systematic name and IUPAC name are the same which is called 1-bromo-2,4-difluorobenzene. This chemical belongs to the several categories: Other fluorin-contained compounds; Aromatic Hydrocarbons (substituted) & Derivatives; Miscellaneous; Bromine Compounds; Fluorine Compounds; Aryl; C6; Halogenated Hydrocarbons.
The physical properties about this chemical are: (1)ACD/LogP: 2.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.98; (4)ACD/LogD (pH 7.4): 2.98; (5)ACD/BCF (pH 5.5): 108.08; (6)ACD/BCF (pH 7.4): 108.08; (7)ACD/KOC (pH 5.5): 993.93; (8)ACD/KOC (pH 7.4): 993.93; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.506; (13)Molar Refractivity: 33.93 cm3; (14)Molar Volume: 114 cm3; (15)Surface Tension: 32.3 dyne/cm; (16)Density: 1.692 g/cm3; (17)Flash Point: 51.7 °C; (18)Enthalpy of Vaporization: 36.94 kJ/mol; (19)Boiling Point: 148.4 °C at 760 mmHg; (20)Vapour Pressure: 5.38 mmHg at 25°C ; (21)Refractive index: n20/D 1.505(lit.).
Preparation of 1-Bromo-2,4-difluorobenzene: it can be made by 2,4-Difluorophenyltrimethylsilane with reagent Br2 at temperature of 80 ℃. The reaction time is 3 hours. And the yield is 38%.
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Uses of 1-Bromo-2,4-difluorobenzene: this chemical can react with benzaldehyde to produce 2,4-Difluorobenzhydrol by using reagent n-BuLi and solvent hexane, diethyl ether at -78 Deg C for 30 min. The yield is about 66%.
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When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system. Therefore, wear suitable protective clothing, gloves and eye/face protection during using it. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Keep away from sources of ignition - No smoking for it is flammable.
In addition, you could convert the following datas into the molecular structure:
(1)SMILES: Fc1ccc(Br)c(F)c1;
(2)InChI: InChI=1/C6H3BrF2/c7-5-2-1-4(8)3-6(5)9/h1-3H;
(3)InChIKey: MGHBDQZXPCTTIH-UHFFFAOYAK