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CAS No.: | 120103-18-6 |
---|---|
Name: | 2,5-DIFLUORO-4-NITROPHENOL |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C6H3F2NO3 |
Molecular Weight: | 175.092 |
Synonyms: | 2,5-Difluoro-4-nitrophenol; |
Density: | 1.619g/cm3 |
Boiling Point: | 303.6 °C at 760 mmHg |
Flash Point: | 137.4 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:Irritant; "> Xi:Irritant; |
Safety: | 45 |
PSA: | 66.05000 |
LogP: | 2.10180 |
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The Phenol,2,5-difluoro-4-nitro-, with CAS registry number 120103-18-6, has the systematic name of 2,5-difluoro-4-nitrophenol. Its molecular weight is 175.09. And the chemical formula of this chemical is C6H3F2NO3.
Physical properties of Phenol,2,5-difluoro-4-nitro-: (1)ACD/LogP: 1.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.27; (4)ACD/LogD (pH 7.4): -0.45; (5)ACD/BCF (pH 5.5): 3.8; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 59.66; (8)ACD/KOC (pH 7.4): 1.15; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.05 Å2; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 34.66 cm3; (15)Molar Volume: 108.1 cm3; (16)Polarizability: 13.74×10-24cm3; (17)Surface Tension: 53.2 dyne/cm; (18)Density: 1.619 g/cm3; (19)Flash Point: 137.4 °C; (20)Enthalpy of Vaporization: 56.56 kJ/mol; (21)Boiling Point: 303.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000514 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc([N+]([O-])=O)c(F)cc1O
(2)InChI: InChI=1/C6H3F2NO3/c7-3-2-6(10)4(8)1-5(3)9(11)12/h1-2,10H
(3)InChIKey: WOQWWNJQZLYLMC-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C6H3F2NO3/c7-3-2-6(10)4(8)1-5(3)9(11)12/h1-2,10H
(5)Std. InChIKey: WOQWWNJQZLYLMC-UHFFFAOYSA-N