Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Furancarboxylic acid,5-methyl-2-(trifluoromethyl)- |
EINECS | N/A |
CAS No. | 17515-74-1 | Density | 1.442g/cm3 |
PSA | 50.44000 | LogP | 2.30500 |
Solubility | N/A | Melting Point |
124 °C |
Formula | C7H5F3O3 | Boiling Point | 241.2 °C at 760 mmHg |
Molecular Weight | 194.11 | Flash Point | 99.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | C | |
Synonyms |
2-Methyl-5-(trifluoromethyl)-4-furancarboxylic acid;2-Trifluoromethyl-5-methyl-3-furancarboxylicacid;5-Methyl-2-trifluoromethylfuran-3-carboxylic acid;3-Furoicacid, 5-methyl-2-(trifluoromethyl)- (8CI); |
Article Data | 2 |
The 3-Furancarboxylic acid,5-methyl-2-(trifluoromethyl)-, with CAS registry number 17515-74-1, belongs to the following product categories: (1)Carboxylic Acids; (2)Furans, Benzofurans & Dihydrobenzofurans. It has the systematic name of 5-methyl-2-(trifluoromethyl)furan-3-carboxylic acid. And the chemical formula of this chemical is C7H5F3O3.
Physical properties of 3-Furancarboxylic acid,5-methyl-2-(trifluoromethyl)-: (1)ACD/LogP: 2.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.21; (4)ACD/LogD (pH 7.4): -0.66; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.93; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 39.44 Å2; (13)Index of Refraction: 1.437; (14)Molar Refractivity: 35.28 cm3; (15)Molar Volume: 134.5 cm3; (16)Polarizability: 13.98×10-24cm3; (17)Surface Tension: 31.2 dyne/cm; (18)Density: 1.442 g/cm3; (19)Flash Point: 99.7 °C; (20)Enthalpy of Vaporization: 50.53 kJ/mol; (21)Boiling Point: 241.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0197 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 3-Furancarboxylic acid,5-methyl-2-(trifluoromethyl)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1c(oc(c1)C)C(F)(F)F
(2)InChI: InChI=1/C7H5F3O3/c1-3-2-4(6(11)12)5(13-3)7(8,9)10/h2H,1H3,(H,11,12)
(3)InChIKey: NURNFMNHTHXTDS-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C7H5F3O3/c1-3-2-4(6(11)12)5(13-3)7(8,9)10/h2H,1H3,(H,11,12)
(5)Std. InChIKey: NURNFMNHTHXTDS-UHFFFAOYSA-N