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Methyl 4-(trifluoromethyl)nicotinate

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Name

Methyl 4-(trifluoromethyl)nicotinate

EINECS 807-916-7
CAS No. 175204-82-7 Density 1.331 g/cm3
PSA 39.19000 LogP 1.88700
Solubility N/A Melting Point N/A
Formula C8H6F3NO2 Boiling Point 240.4 °C at 760 mmHg
Molecular Weight 205.13 Flash Point 99.2 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 175204-82-7 (METHYL 4-(TRIFLUOROMETHYL)NICOTINATE) Hazard Symbols IrritantXi
Synonyms

Methyl 4-(trifluoromethyl)pyridine-3-carboxylate;Methyl 4-(trifluoromethyl)nicotinate;

 

Methyl 4-(trifluoromethyl)nicotinate Specification

The 3-Pyridinecarboxylic acid, 4-(trifluoromethyl)-, methyl ester, with the CAS registry number 175204-82-7, is also known as Methyl 4-(trifluoromethyl)nicotinate. It belongs to the product category of Pyridines. This chemical's molecular formula is C8H6F3NO2 and molecular weight is 205.13. What's more, its systematic name is methyl 4-(trifluoromethyl)pyridine-3-carboxylate.

Physical properties of 3-Pyridinecarboxylic acid, 4-(trifluoromethyl)-, methyl ester are: (1)ACD/LogP: 1.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.85; (4)ACD/LogD (pH 7.4): 1.85; (5)ACD/BCF (pH 5.5): 15.09; (6)ACD/BCF (pH 7.4): 15.09; (7)ACD/KOC (pH 5.5): 242.88; (8)ACD/KOC (pH 7.4): 242.88; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 39.19 Å2; (13)Index of Refraction: 1.446; (14)Molar Refractivity: 41.09 cm3; (15)Molar Volume: 154 cm3; (16)Polarizability: 16.29×10-24cm3; (17)Surface Tension: 30.9 dyne/cm; (18)Density: 1.331 g/cm3; (19)Flash Point: 99.2 °C; (20)Enthalpy of Vaporization: 47.73 kJ/mol; (21)Boiling Point: 240.4 °C at 760 mmHg; (22)Vapour Pressure: 0.038 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC(=O)C1=C(C=CN=C1)C(F)(F)F
(2)InChI: InChI=1S/C8H6F3NO2/c1-14-7(13)5-4-12-3-2-6(5)8(9,10)11/h2-4H,1H3
(3)InChIKey: RFUABQNZKSSKRX-UHFFFAOYSA-N

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