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Name |
Benzene,1-bromo-5-fluoro-2,4-dinitro- |
EINECS | N/A |
CAS No. | 400-91-9 | Density | 1.984 g/cm3 |
PSA | 91.64000 | LogP | 3.45100 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H2BrFN2O4 | Boiling Point | 301 °C at 760 mmHg |
Molecular Weight | 264.995 | Flash Point | 135.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-Bromo-5-fluoro-2,4-dinitrobenzene;1-Fluoro-3-bromo-4,6-dinitrobenzene;NSC 10237; |
Article Data | 2 |
The Benzene, 1-bromo-5-fluoro-2, 4-dinitro-, with the CAS registry number 400-91-9, is also known as 3-Bromo-4, 6-dinitrofluorobenzene. It belongs to the product categories of Blocks; Bromides; Fluoro Compounds; Nitro Compounds. This chemical's molecular formula is C6H2BrFN2O4 and molecular weight is 264.99. What's more, its IUPAC name is 1-Bromo-5-fluoro-2, 4-dinitrobenzene.
Physical properties about Benzene, 1-bromo-5-fluoro-2, 4-dinitro- are: (1)ACD/LogP: 1.55; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 91.64 Å2; (7)Index of Refraction: 1.622; (8)Molar Refractivity: 47.02 cm3; (9)Molar Volume: 133.5 cm3; (10)Polarizability: 18.64×10-24 cm3; (11)Surface Tension: 62.8 dyne/cm; (12)Density: 1.984 g/cm3; (13)Flash Point: 135.8 °C; (14)Enthalpy of Vaporization: 51.94 kJ/mol; (15)Boiling Point: 301 °C at 760 mmHg; (16)Vapour Pressure: 0.00194 mmHg at 25 °C.
Preparation of Benzene, 1-bromo-5-fluoro-2, 4-dinitro-: this chemical is prepared by 4-Bromo-6-fluoro-benzene-1, 3-diamine by heating. This reaction needs reagents 90 % H2O2 and (CF3CO)2O. Meanwhile, it needs solvent CH2Cl2. The reaction time is 1 hour. The yield is about 90 %.
Uses of Benzene, 1-bromo-5-fluoro-2, 4-dinitro-: it is used to produce other chemicals. For example, it is used to produce 2-[(5-Bromo-2, 4-dinitro-phenyl)-methyl-amino]-ethanol. The reaction needs reagent NaHCO3 and solvent Dimethylsulfoxide. The reaction temperature is 80 °C. The yield is about 92 %.
You can still convert the following datas into molecular structure:
(1) SMILES: O=[N+]([O-])c1cc(c(F)cc1Br)[N+]([O-])=O
(2) InChI: InChI=1/C6H2BrFN2O4/c7-3-1-4(8)6(10(13)14)2-5(3)9(11)12/h1-2H
(3) InChIKey: DLNYTDLCDYDPLV-UHFFFAOYAY