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

Name
2-PYRIDINECARBOXYLIC ACID, 3-CHLORO-5-(TRIFLUOROMETHYL)-, ETHYL ESTER
EINECS
CAS No. 128073-16-5
Article Data6
CAS DataBase
Density 1.389 g/cm³
Solubility
Melting Point
Formula C₉H₇ClF₃NO₂
Boiling Point 276.8 °C at 760 mmHg
Molecular Weight 253.608
Flash Point 121.2 °C
Transport Information
Appearance
Safety
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms Ethyl5-(trifluoromethyl)-3-chloropyridine-2-carboxylate;
PSA 39.19000
LogP 2.93050

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

Product Name

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

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

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