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2, 3, 6-Trifluoroisonicotinic acid

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Name

2, 3, 6-Trifluoroisonicotinic acid

EINECS N/A
CAS No. 675602-92-3 Density 1.642 g/cm3
PSA 50.19000 LogP 1.19710
Solubility N/A Melting Point 115-121 °C
Formula C6H2F3NO2 Boiling Point 377.8 °C at 760 mmHg
Molecular Weight 177.08 Flash Point 182.3 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 675602-92-3 (2,3,6-TRIFLUOROISONICOTINIC ACID) Hazard Symbols IrritantXi
Synonyms

4-Pyridinecarboxylicacid, 2, 3, 6-trifluoro-;

 

2, 3, 6-Trifluoroisonicotinic acid Specification

The 2, 3, 6-Trifluoroisonicotinic acid, with the CAS registry number 675602-92-3, is also known as 4-Pyridinecarboxylicacid, 2, 3, 6-trifluoro-. This chemical's molecular formula is C6H2F3NO2 and molecular weight is 177.08. What's more, its IUPAC name is 2, 3, 6-Trifluoropyridine-4-carboxylic acid. In addition, it should be kept away from oxidant.

Physical properties about 2, 3, 6-Trifluoroisonicotinic acid are: (1)ACD/LogP: 1.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.89; (4)ACD/LogD (pH 7.4): -1.99; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (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: 39.19 Å2; (13)Index of Refraction: 1.491; (14)Molar Refractivity: 31.25 cm3; (15)Molar Volume: 107.8 cm3; (16)Polarizability: 12.39×10-24 cm3; (17)Surface Tension: 48.7 dyne/cm; (18)Density: 1.642 g/cm3; (19)Flash Point: 182.3 °C; (20)Enthalpy of Vaporization: 65.99 kJ/mol; (21)Boiling Point: 377.8 °C at 760 mmHg; (22)Vapour Pressure: 2.22E-06 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. During using it, wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1c(C(=O)O)cc(F)nc1F
(2) InChI: InChI=1/C6H2F3NO2/c7-3-1-2(6(11)12)4(8)5(9)10-3/h1H,(H,11,12)
(3) InChIKey: RXNORRUCMWSIQZ-UHFFFAOYAT

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