Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Amino-6-fluoro-3H-isobenzofuran-1-one |
EINECS | N/A |
CAS No. | 1207453-91-5 | Density | 1.485 g/cm3 |
PSA | 52.32000 | LogP | 1.65950 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H6FNO2 | Boiling Point | 414.41 °C at 760 mmHg |
Molecular Weight | 167.14 | Flash Point | 204.428 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1(3H)-Isobenzofuranone, 4-amino-6-fluoro-; |
Article Data | 2 |
4-Amino-6-fluoro-3H-isobenzofuran-1-one is an organic compound with the formula C8H6FNO2, and its systematic name is the same with the product name. With the CAS registry number 1207453-91-5, it is also named as 1(3H)-Isobenzofuranone, 4-amino-6-fluoro-. In addition, the molecular weight is 167.14.
Physical properties of 4-Amino-6-fluoro-3H-isobenzofuran-1-one are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1.00; (3)ACD/BCF (pH 7.4): 1.00; (4)ACD/KOC (pH 5.5): 15.61; (5)ACD/KOC (pH 7.4): 15.61; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 52.32 Å2; (10)Index of Refraction: 1.625; (11)Molar Refractivity: 39.781 cm3; (12)Molar Volume: 112.555 cm3; (13)Polarizability: 15.77×10-24cm3; (14)Surface Tension: 59.998 dyne/cm; (15)Density: 1.485 g/cm3; (16)Flash Point: 204.428 °C; (17)Enthalpy of Vaporization: 66.734 kJ/mol; (18)Boiling Point: 414.41 °C at 760 mmHg; (19)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)F
(2)Std. InChI: InChI=1S/C8H6FNO2/c9-4-1-5-6(7(10)2-4)3-12-8(5)11/h1-2H,3,10H2
(3)Std. InChIKey: DSZCXDVJAIFZLL-UHFFFAOYSA-N