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517920-71-7

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Basic Information
CAS No.: 517920-71-7
Name: 2-CHLORO-5-FLUORO-4-NITROANILINE
Molecular Structure:
Molecular Structure of 517920-71-7 (2-CHLORO-5-FLUORO-4-NITROANILINE)
Formula: C6H4ClFN2O2
Molecular Weight: 190.561
Synonyms: 2-Chloro-5-fluoro-4-nitroaniline;
Density: 1.591 g/cm3
Melting Point: 128-131 °C
Boiling Point: 344.4 °C at 760 mmHg
Flash Point: 162.1 °C
Hazard Symbols: IrritantXi
Risk Codes: 34
Safety: 26-36/37/39-45
PSA: 71.84000
LogP: 3.07390
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Specification

The CAS register number of 2-Chloro-5-fluoro-4-nitrobenzenamine is 517920-71-7. The systematic name about this chemical is 2-chloro-5-fluoro-4-nitroaniline. The molecular formula about this chemical is C6H4ClFN2O2 and the molecular weight is 190.56.

Physical properties about 2-Chloro-5-fluoro-4-nitrobenzenamine are: (1)ACD/LogP: 2.55; (2)ACD/LogD (pH 5.5): 2.55; (3)ACD/LogD (pH 7.4): 2.55; (4)ACD/BCF (pH 5.5): 50.83; (5)ACD/BCF (pH 7.4): 50.83; (6)ACD/KOC (pH 5.5): 579.25; (7)ACD/KOC (pH 7.4): 579.25; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 49.06 Å2; (12)Index of Refraction: 1.617; (13)Molar Refractivity: 41.92 cm3; (14)Molar Volume: 119.7 cm3; (15)Polarizability: 16.61x10-24cm3; (16)Surface Tension: 58.8 dyne/cm; (17)Density: 1.591 g/cm3; (18)Flash Point: 162.1 °C; (19)Enthalpy of Vaporization: 58.84 kJ/mol; (20)Boiling Point: 344.4 °C at 760 mmHg; (21)Vapour Pressure: 6.58E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(cc(Cl)c(N)c1)[N+]([O-])=O
(2)InChI: InChI=1/C6H4ClFN2O2/c7-3-1-6(10(11)12)4(8)2-5(3)9/h1-2H,9H2
(3)InChIKey: LPVHTLPXIISIRD-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C6H4ClFN2O2/c7-3-1-6(10(11)12)4(8)2-5(3)9/h1-2H,9H2
(5)Std. InChIKey: LPVHTLPXIISIRD-UHFFFAOYSA-N