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Name
3-(THIEN-2-YL-5-(TRIFLUOROMETHYL))ISOXAZOLE
- EINECS
- CAS No. 175203-89-1
- Density 1.425 g/cm3
- Solubility
- Melting Point 57-59°C
- Formula C8H4F3NOS
- Boiling Point 281.6 °C at 760 mmHg
- Molecular Weight 219.18
- Flash Point 124.1 °C
- Transport Information
- Appearance
- Safety 26-36
- Risk Codes 36/37/38
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Molecular Structure
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Hazard Symbols
Xi
- Synonyms BUTTPARK 37\04-07;3-(THIEN-2-YL-5-(TRIFLUOROMETHYL))ISOXAZOLE;3-(2-THIENYL)-5-(TRIFLUOROMETHYL)ISOXAZOLE;3-(Thien-2-yl)-5-(trifluoromethyl)isoxazole 97%;3-(Thien-2-yl)-5-(trifluoromethyl)isoxazole97%;3-(Thiophen-2-yl)-5-(trifluoroMethyl)isoxazole
- PSA 54.27000
- LogP 3.42190
Isoxazole, 3-(2-thienyl)-5-(trifluoromethyl)- Specification
This chemical is called Isoxazole, 3-(2-thienyl)-5-(trifluoromethyl)-, and its systematic name is 3-(thiophen-2-yl)-5-(trifluoromethyl)-1,2-oxazole. With the molecular formula of C8H4F3NOS, its molecular weight is 219.18. The CAS registry number of this chemical is 175203-89-1.
Other characteristics of the Isoxazole, 3-(2-thienyl)-5-(trifluoromethyl)- can be summarised as followings: (1)ACD/LogP: 2.54; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 54.27 Å2; (7)Index of Refraction: 1.492; (8)Molar Refractivity: 44.59 cm3; (9)Molar Volume: 153.7 cm3; (10)Polarizability: 17.68×10-24cm3; (11)Surface Tension: 33.2 dyne/cm; (12)Density: 1.425 g/cm3; (13)Flash Point: 124.1 °C; (14)Enthalpy of Vaporization: 49.95 kJ/mol; (15)Boiling Point: 281.6 °C at 760 mmHg; (16)Vapour Pressure: 0.00602 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating 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)c2onc(c1sccc1)c2
2.InChI: InChI=1/C8H4F3NOS/c9-8(10,11)7-4-5(12-13-7)6-2-1-3-14-6/h1-4H
3.InChIKey: TUQUPXBKYCKHTB-UHFFFAOYAS
Related Products
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- Isoxazole, 3-(2-thienyl)-5-(trifluoromethyl)-
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- Isoxazole, 4-nitro-
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- Isoxazole, 5-methoxy-
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- Isoxazole,3-(2-thienyl)-
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