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128073-16-5

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CAS No.: 128073-16-5
Name: 2-PYRIDINECARBOXYLIC ACID, 3-CHLORO-5-(TRIFLUOROMETHYL)-, ETHYL ESTER
Article Data: 6
Molecular Structure:
Molecular Structure of 128073-16-5 (2-PYRIDINECARBOXYLIC ACID, 3-CHLORO-5-(TRIFLUOROMETHYL)-, ETHYL ESTER)
Formula: C9H7ClF3NO2
Molecular Weight: 253.608
Synonyms: Ethyl5-(trifluoromethyl)-3-chloropyridine-2-carboxylate;
Density: 1.389 g/cm3
Boiling Point: 276.8 °C at 760 mmHg
Flash Point: 121.2 °C
Hazard Symbols: IrritantXi
Risk Codes:  Xi:;
">  Xi:;
PSA: 39.19000
LogP: 2.93050
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  • Ethyl 3-chloro-5-(trifluoromethyl)picolinate

  • Casno:

    128073-16-5

    Ethyl 3-chloro-5-(trifluoromethyl)picolinate

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

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  • 2-PYRIDINECARBOXYLIC ACID, 3-CHLORO-5-(TRIFLUOROMETHYL)-, ETHYL ESTER

  • Casno:

    128073-16-5

    2-PYRIDINECARBOXYLIC ACID, 3-CHLORO-5-(TRIFLUOROMETHYL)-, ETHYL ESTER

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 1.0-5.0

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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