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| CAS No.: | 64695-78-9 |
|---|---|
| Name: | 1,2-Dibromo-4,5-difluorobenzene |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C6H2Br2F2 |
| Molecular Weight: | 271.887 |
| Synonyms: | 1,2-Dibromo-4,5-difluorobenzene;1,2-Difluoro-4,5-dibromobenzene;NSC 10239; |
| EINECS: | 265-021-1 |
| Density: | 2.087 g/cm3 |
| Melting Point: | 33-35 °C(lit.) |
| Boiling Point: | 216.2 °C at 760 mmHg |
| Flash Point: | 44.4 °C |
| Solubility: | insoluble in water |
| Appearance: | white to yellow, low melting solid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 10-36/37/38 |
| Safety: | 16-26-36/37/39-24/25 |
| Transport Information: | UN 1325 |
| PSA: | 0.00000 |
| LogP: | 3.48980 |
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Specification
The Benzene,1,2-dibromo-4,5-difluoro-, with CAS registry number 64695-78-9, belongs to the following product categories: (1)Aromatic Halides (substituted); (2)Bromine Compounds; (3)Fluorine Compounds; (4)Aryl; (5)C6; (6)Halogenated Hydrocarbons. It has the systematic name of 1,2-dibromo-4,5-difluorobenzene. This chemical is a kind of white crystalline low melting mass. What's more, its EINECS is 265-021-1.
Physical properties of Benzene,1,2-dibromo-4,5-difluoro-: (1)ACD/LogP: 3.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.49; (4)ACD/LogD (pH 7.4): 3.49; (5)ACD/BCF (pH 5.5): 265.1; (6)ACD/BCF (pH 7.4): 265.1; (7)ACD/KOC (pH 5.5): 1889.24; (8)ACD/KOC (pH 7.4): 1889.24; (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: 1.552; (14)Molar Refractivity: 41.62 cm3; (15)Molar Volume: 130.2 cm3; (16)Polarizability: 16.49×10-24cm3; (17)Surface Tension: 37.6 dyne/cm; (18)Enthalpy of Vaporization: 43.41 kJ/mol; (19)Vapour Pressure: 0.208 mmHg at 25°C.
Uses of p-Chloropropiophenone: it can be used to produce 1,2-difluoro-4,5-diiodo-benzene. This reaction will need reagents KI, CuI and solvent hexamethylphosphoric acid triamide. The yield is about 83%.
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When you are using this chemical, please be cautious about it as the following:
The Benzene,1,2-dibromo-4,5-difluoro- irritates to eyes, respiratory system and skin. And this chemical is flammable, so keep it away from sources of ignition. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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)cc(Br)c(Br)c1
(2)InChI: InChI=1/C6H2Br2F2/c7-3-1-5(9)6(10)2-4(3)8/h1-2H
(3)InChIKey: JTEZQWOKRHOKDG-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C6H2Br2F2/c7-3-1-5(9)6(10)2-4(3)8/h1-2H
(5)Std. InChIKey: JTEZQWOKRHOKDG-UHFFFAOYSA-N