4(3H)-Pyrimidinone,6-amino-2-(trifluoromethyl)- supplier

Name
4(3H)-PYRIMIDINONE, 6-AMINO-2-(TRIFLUOROMETHYL)-
EINECS
CAS No. 1513-70-8
Article Data2
CAS DataBase
Density 1.75 g/cm³
Solubility
Melting Point
Formula C₅H₄F₃N₃O
Boiling Point 166.6 °C at 760 mmHg
Molecular Weight 179.101
Flash Point 54.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Pyrimidinol,6-amino-2-(trifluoromethyl)- (7CI,8CI);NSC 53127;
PSA 71.77000
LogP 0.95210

4(3H)-Pyrimidinone,6-amino-2-(trifluoromethyl)- Specification

The 4(3H)-Pyrimidinone,6-amino-2-(trifluoromethyl)-, with the CAS registry number 1513-70-8, is also known as 4-Pyrimidinol, 6-amino-2-(trifluoromethyl)-. This chemical's molecular formula is C₅H₄F₃N₃O and molecular weight is 179.1. What's more, its systematic name is called 6-Amino-2-(trifluoromethyl)pyrimidin-4(1H)-one.

Physical properties about 4(3H)-Pyrimidinone,6-amino-2-(trifluoromethyl)- are: (1)ACD/LogP: 0.44; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 4.33; (6)ACD/KOC (pH 7.4): 1.98; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 35.91 Å²; (11)Index of Refraction: 1.54; (12)Molar Refractivity: 32.05 cm³; (13)Molar Volume: 102 cm³; (14)Surface Tension: 42.3 dyne/cm; (15)Density: 1.75 g/cm³; (16)Flash Point: 54.6 °C; (17)Enthalpy of Vaporization: 40.31 kJ/mol; (18)Boiling Point: 166.6 °C at 760 mmHg; (19)Vapour Pressure: 1.77 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C/1/N=C(\NC(\N)=C\1)C(F)(F)F
(2) InChI: InChI=1/C5H4F3N3O/c6-5(7,8)4-10-2(9)1-3(12)11-4/h1H,(H3,9,10,11,12)
(3) InChIKey: RCAWEPKTQGJPBV-UHFFFAOYAS

Product Name

4(3H)-PYRIMIDINONE, 6-AMINO-2-(TRIFLUOROMETHYL)-

4(3H)-Pyrimidinone,6-amino-2-(trifluoromethyl)- Specification

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