5-Pyrimidinecarboxaldehyde,2-(trifluoromethyl)- supplier

Name
2-TRIFLUOROMETHYL-PYRIMIDINE-5-CARBALDEHYDE
EINECS
CAS No. 304693-66-1
Article Data2
CAS DataBase
Density 1.455 g/cm³
Solubility
Melting Point
Formula C₆H₃F₃N₂O
Boiling Point 153.259 °C at 760 mmHg
Molecular Weight 176.098
Flash Point 46.49 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Trifluoromethyl-5-formylpyrimidine;2-Trifluoromethyl-5-pyrimidinecarboxaldehyde;
PSA 42.85000
LogP 1.30790

5-Pyrimidinecarboxaldehyde,2-(trifluoromethyl)- Specification

The CAS registry number of 5-Pyrimidinecarboxaldehyde,2-(trifluoromethyl)- is 304693-66-1. This chemical is also known as 2-(Trifluoromethyl)-5-pyrimidinecarboxaldehyde. The molecular formula of it is C₆H₃F₃N₂O and molecular weight is 176.0960296. Its systematic name and IUPAC name are the same which is called 2-(trifluoromethyl)pyrimidine-5-carbaldehyde.

Physical properties about this chemical are: (1)ACD/LogP: 0.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 28; (8)ACD/KOC (pH 7.4): 28; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.476; (13)Molar Refractivity: 34.168 cm³; (14)Molar Volume: 121.057 cm³; (15)Surface Tension: 36.638 dyne/cm; (16)Density: 1.455 g/cm³; (17)Flash Point: 46.49 °C; (18)Enthalpy of Vaporization: 39.006 kJ/mol; (19)Boiling Point: 153.259 °C at 760 mmHg; (20)Vapour Pressure: 3.361 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1ncc(C=O)cn1
(2)InChI: InChI=1/C6H3F3N2O/c7-6(8,9)5-10-1-4(3-12)2-11-5/h1-3H
(3)InChIKey: GAUDQBASERVUGM-UHFFFAOYAH

Product Name

2-TRIFLUOROMETHYL-PYRIMIDINE-5-CARBALDEHYDE

5-Pyrimidinecarboxaldehyde,2-(trifluoromethyl)- Specification

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