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CAS No.: | 557789-62-5 |
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Name: | 2,4-Dibromo-3-fluoro-nitrobenzene |
Molecular Structure: | |
Formula: | C6H2Br2FNO2 |
Molecular Weight: | 298.8919832 |
Synonyms: | Benzene, 1,3-dibromo-2-fluoro-4-nitro-; |
Density: | 2.168 g/cm3 |
Boiling Point: | 267.234 °C at 760 mmHg |
Flash Point: | 115.419 °C |
PSA: | 45.82000 |
LogP: | 3.78210 |
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The 2,4-Dibromo-3-fluoro-nitrobenzene, with the CAS registry number 557789-62-5, is also known as Benzene, 1,3-dibromo-2-fluoro-4-nitro-. This chemical's molecular formula is C6H2Br2FNO2 and molecular weight is 298.8919832. Its systematic name is called 1,3-dibromo-2-fluoro-4-nitro-benzene.
Physical properties of 2,4-Dibromo-3-fluoro-nitrobenzene: (1)ACD/LogP: 2.64; (2)ACD/LogD (pH 5.5): 2.639; (3)ACD/LogD (pH 7.4): 2.639; (4)ACD/BCF (pH 5.5): 59.606; (5)ACD/BCF (pH 7.4): 59.606; (6)ACD/KOC (pH 5.5): 649.177; (7)ACD/KOC (pH 7.4): 649.177; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.616; (11)Molar Refractivity: 48.172 cm3; (12)Molar Volume: 137.854 cm3; (13)Surface Tension: 52.387 dyne/cm; (14)Density: 2.168 g/cm3; (15)Flash Point: 115.419 °C; (16)Enthalpy of Vaporization: 48.489 kJ/mol; (17)Boiling Point: 267.234 °C at 760 mmHg; (18)Vapour Pressure: 0.014 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(c(c(c1[N+](=O)[O-])Br)F)Br
(2)InChI: InChI=1/C6H2Br2FNO2/c7-3-1-2-4(10(11)12)5(8)6(3)9/h1-2H
(3)InChIKey: KAZRLIFDXCGVJS-UHFFFAOYAT