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6-Fluoro-3-methyl-1,2-benzoxazol-5-amine

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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 Molecular Structure of 221559-22-4 (1,2-Benzisoxazol-5-amine,6-fluoro-3-methyl-(9CI)) Hazard Symbols N/A
Synonyms

5-Amino-6-fluoro-3-methylbenzisoxazole;

Article Data 2

6-Fluoro-3-methyl-1,2-benzoxazol-5-amine Specification

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

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