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Name |
2-Bromo-3,4-difluoro-1-nitrobenzene |
EINECS | N/A |
CAS No. | 350699-92-2 | Density | 1.891 g/cm3 |
PSA | 45.82000 | LogP | 3.15870 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H2BrF2NO2 | Boiling Point | 226.713 °C at 760 mmHg |
Molecular Weight | 237.988 | Flash Point | 90.913 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Bromo-3,4-Difluoronitrobenzene;2-Bromo-3,4-difluoro-1-nitrobenzene |
The 2-Bromo-3, 4-difluoro-nitrobenzene, with the CAS registry number of 350699-92-2, is also known as 2-Bromo-3, 4-difluoronitrobenzene. It belongs to the product category of Other Fluorin-contained Compounds. This chemical's molecular formula is C6H2BrF2NO2 and molecular weight is 237.9863864. What's more, its IUPAC name is 3-Bromo-1, 2-difluoro-4-nitrobenzene.
Physical properties about 2-Bromo-3, 4-difluoro-nitrobenzene are: (1)ACD/LogP: 2.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.14; (4)ACD/LogD (pH 7.4): 2.14; (5)ACD/BCF (pH 5.5): 24.76; (6)ACD/BCF (pH 7.4): 24.76; (7)ACD/KOC (pH 5.5): 346.15; (8)ACD/KOC (pH 7.4): 346.15; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.82 Å2; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 40.47 cm3; (15)Molar Volume: 125.8 cm3; (16)Polarizability: 16.04×10-24 cm3; (17)Surface Tension: 45.8 dyne/cm; (18)Density: 1.89 g/cm3; (19)Flash Point: 90.9 °C; (20)Enthalpy of Vaporization: 44.44 kJ/mol; (21)Boiling Point: 226.7 °C at 760 mmHg; (22)Vapour Pressure: 0.121 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1ccc([N+]([O-])=O)c(Br)c1F
(2) InChI: InChI=1/C6H2BrF2NO2/c7-5-4(10(11)12)2-1-3(8)6(5)9/h1-2H
(3) InChIKey: OANBJAYTIQWYDQ-UHFFFAOYAO