3-(Trifluoromethyl)isonicotinic acid supplier

Name
3-(TRIFLUOROMETHYL)ISONICOTINIC ACID
EINECS
CAS No. 590371-38-3
Density 1.484 g/cm³
Solubility
Melting Point 205-207 °C (decomp)(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
Formula C₇H₄F₃NO₂
Boiling Point 352.3 °C at 760 mmHg
Molecular Weight 191.11
Flash Point 166.9 °C
Transport Information
Appearance
Safety 45
Risk Codes 25
Molecular Structure
Hazard Symbols T
Synonyms 3-(Trifluoromethyl)isonicotinic acid;
PSA 50.19000
LogP 1.79860

3-(Trifluoromethyl)isonicotinic acid Specification

The CAS register number of 3-(Trifluoromethyl)isonicotinic acid is 590371-38-3. It also can be called as 4-Pyridinecarboxylicacid, 3-(trifluoromethyl)- and the systematic name about this chemical is 3-(trifluoromethyl)pyridine-4-carboxylic acid. The molecular formula about this chemical is C₇H₄F₃NO₂and molecular weight is 191.11.

Physical properties about 3-(Trifluoromethyl)isonicotinic acid are: (1)ACD/LogP: 1.51; (2)#H bond acceptors: 3; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 50.19Å²; (6)Index of Refraction: 1.475; (7)Molar Refractivity: 36.25 cm³; (8)Molar Volume: 128.6 cm³; (9)Polarizability: 14.37x10^-24cm³; (10)Surface Tension: 38.5 dyne/cm; (11)Enthalpy of Vaporization: 63.02 kJ/mol; (12)Boiling Point: 352.3 °C at 760 mmHg; (13)Vapour Pressure: 1.43E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cncc(c1C(=O)O)C(F)(F)F
(2)InChI: InChI=1/C7H4F3NO2/c8-7(9,10)5-3-11-2-1-4(5)6(12)13/h1-3H,(H,12,13)
(3)InChIKey: FBOSFEOQEZQFOC-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C7H4F3NO2/c8-7(9,10)5-3-11-2-1-4(5)6(12)13/h1-3H,(H,12,13)
(5)Std. InChIKey: FBOSFEOQEZQFOC-UHFFFAOYSA-N

Product Name

3-(TRIFLUOROMETHYL)ISONICOTINIC ACID

3-(Trifluoromethyl)isonicotinic acid Specification

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