3-Pyridinecarboxylicacid, 6-chloro-4-(trifluoromethyl)-, methyl ester supplier

Name
METHYL 6-CHLORO-4-(TRIFLUOROMETHYL)NICOTINATE
EINECS
CAS No. 261635-79-4
Article Data3
CAS DataBase
Density 1.443 g/cm³
Solubility
Melting Point
Formula C₈H₅ClF₃NO₂
Boiling Point 259.7 °C at 760 mmHg
Molecular Weight 239.581
Flash Point 110.9 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 6-Chloro-4-(trifluoromethyl)nicotinicacid methyl ester;Methyl 6-chloro-4-(trifluoromethyl)-3-pyridinecarboxylate;Methyl 6-chloro-4-(trifluoromethyl)nicotinate;
PSA 39.19000
LogP 2.54040

3-Pyridinecarboxylicacid, 6-chloro-4-(trifluoromethyl)-, methyl ester Specification

The 3-Pyridinecarboxylicacid, 6-chloro-4-(trifluoromethyl)-, methyl ester, also known as Methyl 6-chloro-4-(trifluoromethyl)nicotinate, is the organic compound with the formula C₈H₅ClF₃NO₂. With the CAS registry number 261635-79-4, its IUPAC name is methyl 6-chloro-4-(trifluoromethyl)pyridine-3-carboxylate.

Physical properties of 3-Pyridinecarboxylicacid, 6-chloro-4-(trifluoromethyl)-, methyl ester: (1)ACD/LogP: 2.69; (2)ACD/LogD (pH 5.5): 2.69; (3)ACD/LogD (pH 7.4): 2.69; (4)ACD/BCF (pH 5.5): 65.14; (5)ACD/BCF (pH 7.4): 65.14; (6)ACD/KOC (pH 5.5): 691.79; (7)ACD/KOC (pH 7.4): 691.79; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.466; (11)Molar Refractivity: 45.99 cm³; (12)Molar Volume: 166 cm³; (13)Surface Tension: 33.4 dyne/cm; (14)Density: 1.443 g/cm³; (15)Flash Point: 110.9 °C; (16)Enthalpy of Vaporization: 49.74 kJ/mol; (17)Boiling Point: 259.7 °C at 760 mmHg; (18)Vapour Pressure: 0.0127 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. 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. Whenever you will contact it, please 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=CN=C(C=C1C(F)(F)F)Cl
(2)InChI: InChI=1S/C8H5ClF3NO2/c1-15-7(14)4-3-13-6(9)2-5(4)8(10,11)12/h2-3H,1H3
(3)InChIKey: CFJDLJIDLYBQQY-UHFFFAOYSA-N

Product Name

METHYL 6-CHLORO-4-(TRIFLUOROMETHYL)NICOTINATE

3-Pyridinecarboxylicacid, 6-chloro-4-(trifluoromethyl)-, methyl ester Specification

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