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Name |
6-Fluoro-3-methyl-1,2-benzoxazol-5-amine |
EINECS | N/A |
CAS No. | 221559-22-4 | Density | 1.358 g/cm3 |
PSA | 52.05000 | LogP | 2.43870 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H7FN2O | Boiling Point | 308.888 °C at 760 mmHg |
Molecular Weight | 166.155 | Flash Point | 140.611 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-Amino-6-fluoro-3-methylbenzisoxazole; |
Article Data | 2 |
The 1,2-Benzisoxazol-5-amine,6-fluoro-3-methyl-, with the CAS registry number 221559-22-4, is also known as 6-Fluoro-3-methylbenzo[d]isoxazol-5-amine. It belongs to the product category of Oxazole. This chemical's molecular formula is C8H7FN2O and molecular weight is 166.15. What's more, its systematic name is called 6-Fluoro-3-methyl-1,2-benzoxazol-5-amine.
Physical properties about 1,2-Benzisoxazol-5-amine,6-fluoro-3-methyl- are: (1)ACD/LogP: 1.145; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.15; (4)ACD/LogD (pH 7.4): 1.15; (5)ACD/BCF (pH 5.5): 4.36; (6)ACD/BCF (pH 7.4): 4.37; (7)ACD/KOC (pH 5.5): 99.92; (8)ACD/KOC (pH 7.4): 99.93; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 52.05 Å2; (13)Index of Refraction: 1.63; (14)Molar Refractivity: 43.541 cm3; (15)Molar Volume: 122.333 cm3; (16)Polarizability: 17.261×10-24cm3; (17)Surface Tension: 52.847 dyne/cm; (18)Density: 1.358 g/cm3; (19)Flash Point: 140.611 °C; (20)Enthalpy of Vaporization: 54.96 kJ/mol; (21)Boiling Point: 308.888 °C at 760 mmHg; (22)Vapour Pressure: 0.0010 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Nc1cc2c(cc1F)onc2C
(2) InChI: InChI=1S/C8H7FN2O/c1-4-5-2-7(10)6(9)3-8(5)12-11-4/h2-3H,10H2,1H3
(3) InChIKey: OIUPYMDYYMKAMI-UHFFFAOYSA-N