CAS No.79623-37-3,2(3H)-PYRIDINONE, 3-CHLORO-5-(TRIFLUOROMETHYL)- Suppliers

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Basic Information

Molecular Structure:
CAS No.:	79623-37-3
Name:	2(3H)-PYRIDINONE, 3-CHLORO-5-(TRIFLUOROMETHYL)-
Article Data:	2

Formula:	C₆H₃ClF₃NO
Molecular Weight:	197.544
Synonyms:	2-Hydroxy-3-chloro-5-(trifluoromethyl)pyridine;
Density:	1.53 g/cm³
Boiling Point:	234.6 °C at 760 mmHg;
Flash Point:	95.7 °C

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Specification

The 3-Chloro-5-(trifluoromethyl)pyridin-2-ol, with the CAS registry number of 79623-37-3, is also known as 2-Hydroxy-3-chloro-5-(trifluoromethyl)pyridine. This chemical's molecular formula is C₆H₃ClF₃NO. What's more, its systematic name is called 3-Chloro-5-(trifluoromethyl)pyridin-2(1H)-one.

Physical properties about the 3-Chloro-5-(trifluoromethyl)pyridin-2-ol are: (1)ACD/LogP: 0.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.31; (4)ACD/LogD (pH 7.4): 0.11; (5)ACD/BCF (pH 5.5): 4.72; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 82.03; (8)ACD/KOC (pH 7.4): 5.18; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.474; (14)Molar Refractivity: 36.1 cm³; (15)Molar Volume: 128.3 cm³; (16)Surface Tension: 31.6 dyne/cm; (17)Density: 1.53 g/cm³; (18)Flash Point: 95.7 °C; (19) Enthalpy of Vaporization: 47.13 kJ/mol; (20)Boiling Point: 234.6 °C at 760 mmHg; (21)Vapour Pressure: 0.0525 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl\C1=C\C(=C/NC1=O)C(F)(F)F
(2) InChI: InChI=1/C6H3ClF3NO/c7-4-1-3(6(8,9)10)2-11-5(4)12/h1-2H,(H,11,12)
(3) InChIKey: AJPOOWWMZOPUCG-UHFFFAOYAV