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CAS No.: | 288401-62-7 |
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Name: | 4-FLUORO-2-(5-ISOXAZOLYL)PHENOL |
Molecular Structure: | |
Formula: | C9H6FNO2 |
Molecular Weight: | 179.15 |
Synonyms: | 5-(3-Fluoro-6-hydroxyphenyl)isoxazole;4-Fluoro-2-(1,2-oxazol-5-yl)phenol; |
Density: | 1.343 g/cm3 |
Melting Point: | 188-192 °C(lit.) |
Boiling Point: | 335.044 °C at 760 mmHg |
Flash Point: | 156.429 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 46.26000 |
LogP: | 2.18630 |
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The Phenol,4-fluoro-2-(5-isoxazolyl)-, with the CAS registry number 288401-62-7, is also known as 5-(3-Fluoro-6-hydroxyphenyl)isoxazole. This chemical's molecular formula is C9H6FNO2 and molecular weight is 179.15. What's more, its systematic name is 4-Fluoro-2-(1,2-oxazol-5-yl)phenol and it belongs to the product categories of Oxazole&Isoxazole; Building Blocks; Heterocyclic Building Blocks; Isoxazoles. The product is stable at room temperature and pressure, and it should be sealed and stored in a cool and dry place and be protected from strong oxidizes.
Physical properties of Phenol,4-fluoro-2-(5-isoxazolyl)- are: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 16; (6)ACD/BCF (pH 7.4): 15; (7)ACD/KOC (pH 5.5): 254; (8)ACD/KOC (pH 7.4): 243; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.26 Å2; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 43.111 cm3; (15)Molar Volume: 133.376 cm3; (16)Polarizability: 17.091×10-24 cm3; (17)Surface Tension: 47.908 dyne/cm; (18)Density: 1.343 g/cm3; (19)Flash Point: 156.429 °C; (20)Enthalpy of Vaporization: 60.098 kJ/mol; (21)Boiling Point: 335.044 °C at 760 mmHg.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(O)c(c1)c2ccno2
(2)InChI: InChI=1/C9H6FNO2/c10-6-1-2-8(12)7(5-6)9-3-4-11-13-9/h1-5,12H
(3)InChIKey: GMKVPJVBXXTBJG-UHFFFAOYSA-N