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

Name
1,2-Benzisoxazol-5-amine,6-fluoro-3-methyl-(9CI)
EINECS
CAS No. 221559-22-4
Article Data2
CAS DataBase
Density 1.358 g/cm³
Solubility
Melting Point
Formula C₈H₇FN₂O
Boiling Point 308.888 °C at 760 mmHg
Molecular Weight 166.155
Flash Point 140.611 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Amino-6-fluoro-3-methylbenzisoxazole;
PSA 52.05000
LogP 2.43870

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

Product Name

1,2-Benzisoxazol-5-amine,6-fluoro-3-methyl-(9CI)

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

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