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CAS No.: | 59255-94-6 |
---|---|
Name: | 2-Bromo-3-fluoronitrobenzene |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C6H3BrFNO2 |
Molecular Weight: | 219.998 |
Synonyms: | 2-Brom-1-fluor-3-nitrobenzol;2-Bromo-1-fluoro-3-nitrobenzene; |
EINECS: | 1533716-785-6 |
Density: | 1.808 g/cm3 |
Melting Point: | 42.0-44.0 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3)) |
Boiling Point: | 222.326 °C at 760 mmHg |
Flash Point: | 88.26 °C |
Hazard Symbols: | T |
Risk Codes: | T:; "> T:; |
PSA: | 45.82000 |
LogP: | 3.01960 |
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The CAS register number of 2-Bromo-3-fluoronitrobenzene is 59255-94-6. It also can be called as Benzene, 2-bromo-1-fluoro-3-nitro- and the systematic name about this chemical is 2-bromo-1-fluoro-3-nitrobenzene. The molecular formula about this chemical is C6H3BrFNO2 and the molecular weight is 220.00. It belongs to the following product categories, such as Blocks; Bromides; FluoroCompounds; NitroCompounds and so on.
Physical properties about 2-Bromo-3-fluoronitrobenzene are: (1)ACD/LogP: 2.39; (2)ACD/LogD (pH 5.5): 2.38; (3)ACD/LogD (pH 7.4): 2.38; (4)ACD/BCF (pH 5.5): 38.23; (5)ACD/BCF (pH 7.4): 38.23; (6)ACD/KOC (pH 5.5): 472.37; (7)ACD/KOC (pH 7.4): 472.37; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 45.82Å2; (11)Index of Refraction: 1.579; (12)Molar Refractivity: 40.48 cm3; (13)Molar Volume: 121.6 cm3; (14)Polarizability: 16.04x10-24cm3; (15)Surface Tension: 48 dyne/cm; (16)Enthalpy of Vaporization: 44.01 kJ/mol; (17)Boiling Point: 222.3 °C at 760 mmHg; (18)Vapour Pressure: 0.152 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cccc(N(=O)=O)c1Br
(2)InChI: InChI=1/C6H3BrFNO2/c7-6-4(8)2-1-3-5(6)9(10)11/h1-3H
(3)InChIKey: ICIVWQQTOYDXDM-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C6H3BrFNO2/c7-6-4(8)2-1-3-5(6)9(10)11/h1-3H
(5)Std. InChIKey: ICIVWQQTOYDXDM-UHFFFAOYSA-N