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1,2,4-Oxadiazole, 5-[4-phenyl-5-(trifluoromethyl)-2-thienyl]-3-[3-(trifluoromethyl)phenyl]-

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Name

1,2,4-Oxadiazole, 5-[4-phenyl-5-(trifluoromethyl)-2-thienyl]-3-[3-(trifluoromethyl)phenyl]-

EINECS N/A
CAS No. 256414-75-2 Density 1.415 g/cm3
PSA 67.16000 LogP 7.16970
Solubility N/A Melting Point 94.5-95.3 °C
Formula C20H10F6N2OS Boiling Point 490.3 °C at 760 mmHg
Molecular Weight 440.36 Flash Point 250.3 °C
Transport Information UN 2811 Appearance white solid
Safety 45 Risk Codes 25
Molecular Structure Molecular Structure of 256414-75-2 (5-[4-PHENYL-5-(TRIFLUOROMETHYL)-2-THIENYL]-3-[3-(TRIFLUOROMETHYL)PHENYL]-1,2,4-OXADIAZOLE) Hazard Symbols ToxicT
Synonyms

SEW 2871;

 

1,2,4-Oxadiazole, 5-[4-phenyl-5-(trifluoromethyl)-2-thienyl]-3-[3-(trifluoromethyl)phenyl]- Specification

This chemical is called 1,2,4-Oxadiazole, 5-[4-phenyl-5-(trifluoromethyl)-2-thienyl]-3-[3-(trifluoromethyl)phenyl]-, and its systematic name is 5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole. With the molecular formula of C20H10F6N2OS, its molecular weight is 440.36. The CAS registry number of this chemical is 256414-75-2. Additionally, it should be stored at the temperature of 2-8°C.

Other characteristics of the 1,2,4-Oxadiazole, 5-[4-phenyl-5-(trifluoromethyl)-2-thienyl]-3-[3-(trifluoromethyl)phenyl]- can be summarised as followings: (1)ACD/LogP: 8.37; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.37; (4)ACD/LogD (pH 7.4): 8.37; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 852538.75; (8)ACD/KOC (pH 7.4): 852538.75; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 67.16 Å2; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 96.85 cm3; (15)Molar Volume: 311 cm3; (16)Polarizability: 38.39×10-24cm3; (17)Surface Tension: 37 dyne/cm; (18)Density: 1.415 g/cm3; (19)Flash Point: 250.3 °C; (20)Enthalpy of Vaporization: 72.81 kJ/mol; (21)Boiling Point: 490.3 °C at 760 mmHg; (22)Vapour Pressure: 2.77E-09 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is toxic if swallowed. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.).

You can still convert the following datas into molecular structure:
1.SMILES: FC(F)(F)c4cccc(c1noc(n1)c2sc(c(c2)c3ccccc3)C(F)(F)F)c4
2.InChI: InChI=1/C20H10F6N2OS/c21-19(22,23)13-8-4-7-12(9-13)17-27-18(29-28-17)15-10-14(11-5-2-1-3-6-11)16(30-15)20(24,25)26/h1-10H 3.InChIKey: OYMNPJXKQVTQTR-UHFFFAOYAB

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