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Benzene,1-bromo-5-fluoro-2,4-dinitro-

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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 Molecular Structure of 400-91-9 (3-BROMO-4,6-DINITROFLUOROBENZENE) Hazard Symbols N/A
Synonyms

1-Bromo-5-fluoro-2,4-dinitrobenzene;1-Fluoro-3-bromo-4,6-dinitrobenzene;NSC 10237;

Article Data 2

Benzene,1-bromo-5-fluoro-2,4-dinitro- Specification

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 %.

The Benzene, 1-bromo-5-fluoro-2, 4-dinitro- can be obtained by 4-Bromo-6-fluoro-benzene-1, 3-diamine.

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 %.

Benzene, 1-bromo-5-fluoro-2, 4-dinitro- can react with 2-Methylamino-ethanol to get 2-[(5-Bromo-2, 4-dinitro-phenyl)-methyl-amino]-ethanol.

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

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