Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
6-Fluoro-4-nitro-3H-isobenzofuran-1-one |
EINECS | N/A |
CAS No. | 1207453-90-4 | Density | 1.614 g/cm3 |
PSA | 72.12000 | LogP | 1.92750 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H4FNO4 | Boiling Point | 414.93 °C at 760 mmHg |
Molecular Weight | 197.122 | Flash Point | 204.742 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
6-Fluoro-4-nitro-3H-isobenzofuran-1-one |
Article Data | 4 |
The CAS registry number of 1(3H)-Isobenzofuranone, 6-fluoro-4-nitro- is 1207453-90-4. This chemical's molecular formula is C8H4FNO4 and molecular weight is 197.12. What's more, its systematic name is called 6-Fluoro-4-nitro-3H-isobenzofuran-1-one.
Physical properties about 1(3H)-Isobenzofuranone, 6-fluoro-4-nitro- are: (1)ACD/LogP: 1.038; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.04; (4)ACD/LogD (pH 7.4): 1.04; (5)ACD/BCF (pH 5.5): 3.62; (6)ACD/BCF (pH 7.4): 3.62; (7)ACD/KOC (pH 5.5): 87.46; (8)ACD/KOC (pH 7.4): 87.46; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 72.12 Å2; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 42.091 cm3; (15)Molar Volume: 122.117 cm3; (16)Polarizability: 16.686×10-24cm3; (17)Surface Tension: 61.785 dyne/cm; (18)Density: 1.614 g/cm3; (19)Flash Point: 204.742 °C; (20)Enthalpy of Vaporization: 66.794 kJ/mol; (21)Boiling Point: 414.93 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1c(cc(c2c1C(=O)OC2)[N+](=O)[O-])F
(2) InChI: InChI=1S/C8H4FNO4/c9-4-1-5-6(3-14-8(5)11)7(2-4)10(12)13/h1-2H,3H2
(3) InChIKey: JBLFHMWQMPVDDL-UHFFFAOYSA-N