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| CAS No.: | 56286-73-8 |
|---|---|
| Name: | 5-(TRIFLUOROMETHYL)-2-FUROIC ACID, 97 |
| Article Data: | 5 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H3F3O3 |
| Molecular Weight: | 180.083 |
| Synonyms: | 5-(TRIFLUOROMETHYL)-2-FUROIC ACID, 97;5-(TrifluoroMethyl)furan-2-carboxylic acid |
| Density: | 1.523 g/cm3 |
| Melting Point: | 120℃ |
| Boiling Point: | 243.692 °C at 760 mmHg |
| Flash Point: | 101.181 °C |
| Hazard Symbols: |
 C
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 50.44000 |
| LogP: | 1.99660 |
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- Total:28 Page 1 of 1 1
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Specification
This chemical is called 5-(Trifluoromethyl)-2-furoic acid, and its systematic name is 5-(trifluoromethyl)furan-2-carboxylic acid. With the molecular formula of C6H3F3O3, its molecular weight is 180. The CAS registry number of this chemical is 56286-73-8.
Other characteristics of the 5-(Trifluoromethyl)-2-furoic acid can be summarised as followings: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 50.44 Å2; (11)Index of Refraction: 1.429; (12)Molar Refractivity: 30.462 cm3; (13)Molar Volume: 118.268 cm3; (14)Polarizability: 12.076×10-24cm3; (15)Surface Tension: 31.682 dyne/cm; (16)Density: 1.523 g/cm3; (17)Flash Point: 101.181 °C; (18)Enthalpy of Vaporization: 50.798 kJ/mol; (19)Boiling Point: 243.692 °C at 760 mmHg; (20)Vapour Pressure: 0.017 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: c1cc(oc1C(=O)O)C(F)(F)F
2.InChI: InChI=1/C6H3F3O3/c7-6(8,9)4-2-1-3(12-4)5(10)11/h1-2H,(H,10,11)
3.InChIKey: XLYPCKBOJBGJEB-UHFFFAOYAR