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CAS No.: | 567-63-5 |
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Name: | 3-FLUORO-2-NITROANILINE |
Molecular Structure: | |
Formula: | C6H5FN2O2 |
Molecular Weight: | 156.11 |
Synonyms: | Aniline,3-fluoro-2-nitro- (8CI);3-Fluoro-2-nitroaniline; |
Density: | 1.448 g/cm3 |
Boiling Point: | 305.7 °C at 760 mmHg |
Flash Point: | 138.7 °C |
Hazard Symbols: | Xi |
Risk Codes: | 34 |
Safety: | 26-36/37/39-45 |
PSA: | 71.84000 |
LogP: | 2.42050 |
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The Benzenamine,3-fluoro-2-nitro-, with CAS registry number 567-63-5, has the systematic name of 3-fluoro-2-nitroaniline. Besides this, it is also called Aniline,3-fluoro-2-nitro- (8CI). Its molecular weight is 156.11. And the chemical formula of this chemical is C6H5FN2O2.
Physical properties of Benzenamine,3-fluoro-2-nitro-: (1)ACD/LogP: 1.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.97; (4)ACD/LogD (pH 7.4): 1.97; (5)ACD/BCF (pH 5.5): 18.5; (6)ACD/BCF (pH 7.4): 18.5; (7)ACD/KOC (pH 5.5): 280.96; (8)ACD/KOC (pH 7.4): 280.96; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 49.06 Å2; (13)Index of Refraction: 1.603; (14)Molar Refractivity: 37.02 cm3; (15)Molar Volume: 107.7 cm3; (16)Polarizability: 14.67×10-24cm3; (17)Surface Tension: 56.7 dyne/cm; (18)Density: 1.448 g/cm3; (19)Flash Point: 138.7 °C; (20)Enthalpy of Vaporization: 54.61 kJ/mol; (21)Boiling Point: 305.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000809 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1c(F)cccc1N
(2)InChI: InChI=1/C6H5FN2O2/c7-4-2-1-3-5(8)6(4)9(10)11/h1-3H,8H2
(3)InChIKey: NSFGNLQLWFZHKK-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C6H5FN2O2/c7-4-2-1-3-5(8)6(4)9(10)11/h1-3H,8H2
(5)Std. InChIKey: NSFGNLQLWFZHKK-UHFFFAOYSA-N