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131747-43-8

Basic Information
CAS No.: 131747-43-8
Name: 3-Pyridinecarboxylicacid, 2-(trifluoromethyl)-
Molecular Structure:
Molecular Structure of 131747-43-8 (3-Pyridinecarboxylicacid, 2-(trifluoromethyl)-)
Formula: C7H4F3NO2
Molecular Weight: 191.11
Synonyms: 2-(Trifluoromethyl)nicotinicacid;2-(Trifluoromethyl)pyridine-3-carboxylic acid;
EINECS: 223-090-5
Density: 1.484 g/cm3
Melting Point: 184-188 °C
Boiling Point: 259.9 °C at 760 mmHg
Flash Point: 111 °C
Solubility:
Appearance:
Hazard Symbols: HarmfulXn,IrritantXi
Risk Codes: 22
Safety: 26-37
Transport Information:
PSA: 50.19000
LogP: 1.79860
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  • 2-(Trifluoromethyl)pyridine-3-carboxylic acid

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    131747-43-8

    2-(Trifluoromethyl)pyridine-3-carboxylic acid

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    131747-43-8

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  • 2-(Trifluoromethyl)nicotinic acid

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    131747-43-8

    2-(Trifluoromethyl)nicotinic acid

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    131747-43-8

    2-Trifluoromethylnicotinic acid

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  • 2-(Trifluoromethyl)nicotinic acid

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    131747-43-8

    2-(Trifluoromethyl)nicotinic acid

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  • 2-(TrifluoroMethyl)nicotinic acid

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    131747-43-8

    2-(TrifluoroMethyl)nicotinic acid

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  • 2-TrifluoroMethylnicotinic acid

  • Casno:

    131747-43-8

    2-TrifluoroMethylnicotinic acid

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Specification

The 2-(Trifluoromethyl)nicotinic acid, with its cas register number 131747-43-8, has its systematic name of 2-(trifluoromethyl)pyridine-3-carboxylic acid. And its product categories are various, including carboxylic acids; heterocycle; aromatics compounds; aromatics; building blocks; pyridine. As for its usage, it is widely used in the pharmaceutics, such as being intermediate for agrochemical fungicides.

The physical properties of this chemical could be summarized as: (1)ACD/LogP: 1.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.63; (4)ACD/LogD (pH 7.4): -2.02; (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; (13)Index of Refraction: 1.475; (14)Molar Refractivity: 36.25 cm3; (15)Molar Volume: 128.6 cm3; (16)Polarizability: 14.37 ×10-24 cm3; (17)Surface Tension: 38.5 dyne/cm; (18)Density: 1.484 g/cm3; (19)Flash Point: 111 °C; (20)Enthalpy of Vaporization: 52.57 kJ/mol; (21)Boiling Point: 259.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00642 mmHg at 25°C.

When you are using this chemical, you should be very cautious. Being a kind of irritant chemical, it may cause inflammation to the skin or other mucous membranes. If swallowed, it will have damage to our health. Besides, it is harmful and it may cause damage to health. So while dealing with it, you had better wear suitable protective clothing and gloves.

Additionally, you could convert the following datas information into the molecular structure:
(1)SMILES:FC(F)(F)c1ncccc1C(=O)O
(2)InChI:InChI=1/C7H4F3NO2/c8-7(9,10)5-4(6(12)13)2-1-3-11-5/h1-3H,(H,12,13)
(3)InChIKey:BFROETNLEIAWNO-UHFFFAOYAA