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6-(Trifluoromethyl)nicotinic acid

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Name

6-(Trifluoromethyl)nicotinic acid

EINECS 624-411-5
CAS No. 231291-22-8 Density 1.485 g/cm3
PSA 50.19000 LogP 1.79860
Solubility N/A Melting Point 193-197 °C(lit.)
Formula C7H4 F3 N O2 Boiling Point 259.322 °C at 760 mmHg
Molecular Weight 191.109 Flash Point 110.634 °C
Transport Information N/A Appearance white solid
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 231291-22-8 (6-(Trifluoromethyl)nicotinic acid) Hazard Symbols IrritantXi
Synonyms

2-Trifluoromethyl-5-pyridinecarboxylicacid;6-Trifluoromethyl-3-pyridinecarboxylic acid;6-Trifluoromethylnicotinicacid;6-(Trifluoromethyl)nicotinic acid;

Article Data 9

6-(Trifluoromethyl)nicotinic acid Specification

The 6-(Trifluoromethyl)nicotinic acid, with its cas register number 231291-22-8, has its IUPAC name of 6-(trifluoromethyl)pyridine-3-carboxylate. This is a kiod of white solid, and its product categories are various, including nitrogen cyclic compounds; pyridine series; acids and derivatives; heterocycles; aromatic carboxylic acids, amides, anilides, anhydrides & salts; pyridine; niacin; pyridines derivates; heterocycle; carboxylic acids; building blocks. It can be used in liquid monomer, pharmaceutical synthesis.

The physical properties of this chemical could be summarized as: (1)ACD/LogP: 1.28  ; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 50.19 ; (10)Index of Refraction: 1.475; (11)Molar Refractivity: 36.254 cm3; (12)Molar Volume: 128.697 cm3; (13)Polarizability: 14.372×10-24 cm3; (14)Surface Tension: 38.586 dyne/cm; (15)Density: 1.485 g/cm3; (16)Flash Point: 110.634 °C; (17)Enthalpy of Vaporization: 52.505 kJ/mol; (18)Boiling Point: 259.322 °C at 760 mmHg ; (19)Vapour Pressure: 0.007 mmHg at 25°C.

When you are using this chemical, you should be very cautious. This is irritant to eyes, respiratory system and skin, and it may cause inflammation to the skin or other mucous membranes. So you should take the following instructions while using. Wear suitable protective clothing and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. You could also go to WGK Germany  3 to obtain more safety information.

Additionally, you could convert the following datas information into the molecular structure:
(1)Canonical SMILES: C1=CC(=NC=C1C(=O)[O-])C(F)(F)F
(2)InChI: InChI=1S/C7H4F3NO2/c8-7(9,10)5-2-1-4(3-11-5)6(12)13/h1-3H,(H,12,13)/p-1 
(3)InChIKey: JNYLMODTPLSLIF-UHFFFAOYSA-M 

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