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| CAS No.: | 321-17-5 |
|---|---|
| Name: | 2-Bromo-4,5-difluoronitrobenzene |
| Molecular Structure: | |
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| Formula: | C6H2BrF2NO2 |
| Molecular Weight: | 237.988 |
| Synonyms: | 1-Bromo-4,5-difluoro-2-nitrobenzene;2-Bromo-4,5-difluoronitrobenzene; |
| Density: | 1.89 g/cm3 |
| Boiling Point: | 226.7 °C at 760 mmHg |
| Flash Point: | 90.9 °C |
| PSA: | 45.82000 |
| LogP: | 3.15870 |
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Specification
The Benzene, 1-bromo-4, 5-difluoro-2-nitro-, with the CAS registry number 321-17-5, is also known as 2-Brom-3, 4-difluor-1-nitrobenzol. It belongs to the product categories of Bromine Compounds; Fluorine Compounds; Nitro Compounds. This chemical's molecular formula is C6H2BrF2NO2 and molecular weight is 237.9864. What's more, its systematic name is 2-Bromo-3, 4-difluoro-1-nitrobenzene.
Physical properties about Benzene, 1-bromo-4, 5-difluoro-2-nitro- 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