Basic Information | Post buying leads | Suppliers |
Name |
3-Fluoro-4-nitrobenzonitrile |
EINECS | N/A |
CAS No. | 218632-01-0 | Density | 1.41 g/cm3 |
PSA | 69.61000 | LogP | 2.12878 |
Solubility | N/A | Melting Point |
72-73°C |
Formula | C7H3FN2O2 | Boiling Point | 316.4 °C at 760 mmHg |
Molecular Weight | 166.111 | Flash Point | 145.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39-45 | Risk Codes | 34 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
3-Fluoro-4-nitrobenzonitrile;4-Cyano-2-fluoro-1-nitrobenzene; |
The Benzonitrile,3-fluoro-4-nitro-, with CAS registry number 218632-01-0, has the systematic name of 3-fluoro-4-nitrobenzonitrile. Besides this, it is also called 4-Cyano-2-fluoro-1-nitrobenzene. And the chemical formula of this chemical is C7H3FN2O2.
Physical properties of Benzonitrile,3-fluoro-4-nitro-: (1)ACD/LogP: 0.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.69; (4)ACD/LogD (pH 7.4): 0.69; (5)ACD/BCF (pH 5.5): 1.98; (6)ACD/BCF (pH 7.4): 1.98; (7)ACD/KOC (pH 5.5): 56.66; (8)ACD/KOC (pH 7.4): 56.66; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 69.61 Å2; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 37.46 cm3; (15)Molar Volume: 117 cm3; (16)Polarizability: 14.85×10-24cm3; (17)Surface Tension: 54 dyne/cm; (18)Density: 1.41 g/cm3; (19)Flash Point: 145.2 °C; (20)Enthalpy of Vaporization: 55.78 kJ/mol; (21)Boiling Point: 316.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000411 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1ccc(C#N)cc1F
(2)InChI: InChI=1/C7H3FN2O2/c8-6-3-5(4-9)1-2-7(6)10(11)12/h1-3H
(3)InChIKey: OZXCOGPRBUSXLE-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C7H3FN2O2/c8-6-3-5(4-9)1-2-7(6)10(11)12/h1-3H
(5)Std. InChIKey: OZXCOGPRBUSXLE-UHFFFAOYSA-N