Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2,4-Difluoro-5-nitrobenzonitrile |
EINECS | N/A |
CAS No. | 67152-20-9 | Density | 1.51 g/cm3 |
PSA | 69.61000 | LogP | 2.26788 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H2F2N2O2 | Boiling Point | 271.5 °C at 760 mmHg |
Molecular Weight | 184.102 | Flash Point | 118 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Benzonitrile, 2,4-difluoro-5-nitro-;2,4-difluoro-5-nitrobenzenecarbonitrile;2,4-Difluoro-5-cyanonitrobenzene; |
Article Data | 7 |
The systematic name of 2,4-Difluoro-5-nitrobenzonitrile is 2,4-difluoro-5-nitrobenzonitrile. With the CAS registry number 67152-20-9, it is also named as Benzonitrile, 2,4-difluoro-5-nitro-. The product's category is Aromatic Nitriles. In addition, its molecular formula is C7H2F2N2O2 and its molecular weight is 184.1.
The other characteristics of 2,4-Difluoro-5-nitrobenzonitrile can be summarized as: (1)ACD/LogP: 0.59; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 69.61 Å2; (7)Index of Refraction: 1.529; (8)Molar Refractivity: 37.57 cm3; (9)Molar Volume: 121.8 cm3; (10)Polarizability: 14.89×10-24cm3; (11)Surface Tension: 50.5 dyne/cm; (12)Density: 1.51 g/cm3; (13)Flash Point: 118 °C; (14)Enthalpy of Vaporization: 50.97 kJ/mol; (15)Boiling Point: 271.5 °C at 760 mmHg; (16)Vapour Pressure: 0.00642 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: N#Cc1cc(c(F)cc1F)[N+]([O-])=O
(2)InChI: InChI=1/C7H2F2N2O2/c8-5-2-6(9)7(11(12)13)1-4(5)3-10/h1-2H
(3)InChIKey: MREZSSGRNNMUKZ-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C7H2F2N2O2/c8-5-2-6(9)7(11(12)13)1-4(5)3-10/h1-2H
(5)Std. InChIKey: MREZSSGRNNMUKZ-UHFFFAOYSA-N