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2-Pyridinecarboxylicacid, 3-chloro-5-(trifluoromethyl)-, ethyl ester

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Name

2-Pyridinecarboxylicacid, 3-chloro-5-(trifluoromethyl)-, ethyl ester

EINECS N/A
CAS No. 128073-16-5 Density 1.389 g/cm3
PSA 39.19000 LogP 2.93050
Solubility N/A Melting Point N/A
Formula C9H7ClF3NO2 Boiling Point 276.8 °C at 760 mmHg
Molecular Weight 253.608 Flash Point 121.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes  Xi:;
Molecular Structure Molecular Structure of 128073-16-5 (2-PYRIDINECARBOXYLIC ACID, 3-CHLORO-5-(TRIFLUOROMETHYL)-, ETHYL ESTER) Hazard Symbols IrritantXi
Synonyms

Ethyl5-(trifluoromethyl)-3-chloropyridine-2-carboxylate;

Article Data 6

2-Pyridinecarboxylicacid, 3-chloro-5-(trifluoromethyl)-, ethyl ester Specification

The 2-Pyridinecarboxylicacid, 3-chloro-5-(trifluoromethyl)-, ethyl ester, with CAS registry number 128073-16-5, belongs to the following product category: Pyridines. It has the systematic name of ethyl 3-chloro-5-(trifluoromethyl)pyridine-2-carboxylate. And the chemical formula of this chemical is C9H7ClF3NO2.

Physical properties of 2-Pyridinecarboxylicacid, 3-chloro-5-(trifluoromethyl)-, ethyl ester: (1)ACD/LogP: 2.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.73; (4)ACD/LogD (pH 7.4): 2.73; (5)ACD/BCF (pH 5.5): 70.29; (6)ACD/BCF (pH 7.4): 70.29; (7)ACD/KOC (pH 5.5): 730.49; (8)ACD/KOC (pH 7.4): 730.49; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 39.19 Å2; (13)Index of Refraction: 1.466; (14)Molar Refractivity: 50.62 cm3; (15)Molar Volume: 182.5 cm3; (16)Polarizability: 20.06×10-24cm3; (17)Surface Tension: 33.5 dyne/cm; (18)Density: 1.389 g/cm3; (19)Flash Point: 121.2 °C; (20)Enthalpy of Vaporization: 51.53 kJ/mol; (21)Boiling Point: 276.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0047 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(cnc1C(=O)OCC)C(F)(F)F
(2)InChI: InChI=1/C9H7ClF3NO2/c1-2-16-8(15)7-6(10)3-5(4-14-7)9(11,12)13/h3-4H,2H2,1H3
(3)InChIKey: COMQYNZHBCNPNW-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C9H7ClF3NO2/c1-2-16-8(15)7-6(10)3-5(4-14-7)9(11,12)13/h3-4H,2H2,1H3
(5)Std. InChIKey: COMQYNZHBCNPNW-UHFFFAOYSA-N

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