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5-[3-(Trifluoromethyl)phenyl]oxazole

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Name

5-[3-(Trifluoromethyl)phenyl]oxazole

EINECS N/A
CAS No. 175205-48-8 Density 1.297 g/cm3
PSA 26.03000 LogP 3.36040
Solubility N/A Melting Point N/A
Formula C10H6F3NO Boiling Point 268.5 °C at 760 mmHg
Molecular Weight 213.16 Flash Point 116.2 °C
Transport Information N/A Appearance N/A
Safety 23-36/37/39 Risk Codes 20/21/22
Molecular Structure Molecular Structure of 175205-48-8 (5-[3-(Trifluoromethyl)phenyl]oxazole) Hazard Symbols IrritantXi
Synonyms

Oxazole, 5-[3-(trifluoromethyl)phenyl]-;

 

5-[3-(Trifluoromethyl)phenyl]oxazole Specification

This chemical has the systematic name 5-[3-(Trifluoromethyl)phenyl]oxazole, and it's also known as Oxazole, 5-[3-(trifluoromethyl)phenyl]-. Its molecular formula is C10H6F3NO and its molecular weight is 213.16. Additionally, the CAS registry number of this chemical is 175205-48-8.

Other characteristics of the 5-[3-(Trifluoromethyl)phenyl]oxazole can be summarised as followings: (1)ACD/LogP: 2.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.93; (4)ACD/LogD (pH 7.4): 2.93; (5)ACD/BCF (pH 5.5): 99.81; (6)ACD/BCF (pH 7.4): 99.81; (7)ACD/KOC (pH 5.5): 938.89; (8)ACD/KOC (pH 7.4): 938.89; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.03 Å2; (13)Index of Refraction: 1.474; (14)Molar Refractivity: 46.21 cm3; (15)Molar Volume: 164.2 cm3; (16)Polarizability: 18.32×10-24cm3; (17)Surface Tension: 30.4 dyne/cm; (18)Density: 1.297 g/cm3; (19)Flash Point: 116.2 °C; (20)Enthalpy of Vaporization: 48.62 kJ/mol; (21)Boiling Point: 268.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0126 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is harmful to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: FC(F)(F)c1cccc(c1)c2ocnc2
2.InChI: InChI=1/C10H6F3NO/c11-10(12,13)8-3-1-2-7(4-8)9-5-14-6-15-9/h1-6H
3.InChIKey: VZPSLWXHNGQMCO-UHFFFAOYAS

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