CAS No.306960-74-7,2-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	306960-74-7
Name:	2-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLIC ACID
Article Data:	4

Formula:	C₆H₃F₃N₂O₂
Molecular Weight:	192.0954296
Synonyms:	2-(Trifluoromethyl)-5-pyrimidinecarboxylic acid;5-Pyrimidinecarboxylic acid, 2-(trifluoromethyl)-;
Density:	1.575 g/cm³
Melting Point:	>210℃
Boiling Point:	220.665 °C at 760 mmHg
Flash Point:	87.256 °C
PSA:	63.08000
LogP:	1.50200

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Specification

The 5-Pyrimidinecarboxylicacid, 4-methyl-2-(trifluoromethyl)-, with the CAS registry number 306960-74-7, is also known as 2-(Trifluoromethyl)-5-pyrimidinecarboxylic acid. It belongs to the product category of Pyrimidines. This chemical's molecular formula is C₆H₃F₃N₂O₂ and molecular weight is 192.09. Its systematic name is called 2-(trifluoromethyl)pyrimidine-5-carboxylic acid.

Physical properties of 5-Pyrimidinecarboxylicacid, 4-methyl-2-(trifluoromethyl)-: (1)ACD/LogP: 1.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3; (4)ACD/LogD (pH 7.4): -3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.475; (13)Molar Refractivity: 34.345 cm³; (14)Molar Volume: 121.921 cm³; (15)Surface Tension: 44.504 dyne/cm; (16)Density: 1.576 g/cm³; (17)Flash Point: 87.256 °C; (18)Enthalpy of Vaporization: 48.314 kJ/mol; (19)Boiling Point: 220.665 °C at 760 mmHg; (20)Vapour Pressure: 0.064 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1ncc(C(=O)O)cn1
(2)InChI: InChI=1/C6H3F3N2O2/c7-6(8,9)5-10-1-3(2-11-5)4(12)13/h1-2H,(H,12,13)
(3)InChIKey: RGLZXVNOHDUMRJ-UHFFFAOYAT