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Phenol,4-fluoro-2-(5-isoxazolyl)-

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Name

Phenol,4-fluoro-2-(5-isoxazolyl)-

EINECS N/A
CAS No. 288401-62-7 Density 1.343 g/cm3
PSA 46.26000 LogP 2.18630
Solubility N/A Melting Point 188-192 °C(lit.)
Formula C9H6FNO2 Boiling Point 335.044 °C at 760 mmHg
Molecular Weight 179.15 Flash Point 156.429 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 288401-62-7 (4-FLUORO-2-(5-ISOXAZOLYL)PHENOL) Hazard Symbols IrritantXi
Synonyms

5-(3-Fluoro-6-hydroxyphenyl)isoxazole;4-Fluoro-2-(1,2-oxazol-5-yl)phenol;

 

Phenol,4-fluoro-2-(5-isoxazolyl)- Specification

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

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