Basic Information | Post buying leads | Suppliers |
Name |
2-Pyridinecarboxaldehyde,3-(trifluoromethyl)- |
EINECS | N/A |
CAS No. | 131747-62-1 | Density | 1.369g/cm3 |
PSA | 29.96000 | LogP | 1.91290 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H4F3NO | Boiling Point | 200 °C at 760 mmHg |
Molecular Weight | 175.11 | Flash Point | 74.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 36/37 | Risk Codes |
Xi:Irritant; |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
3-(trifluoromethyl)pyridine-2-carbaldehyde |
The 2-Pyridinecarboxaldehyde,3-(trifluoromethyl)-, with CAS registry number 131747-62-1, belongs to the following product categories: (1)Pharmacetical; (2)Pyridine; (3)Building Blocks; (4)Fluorinated. It has the systematic name of 3-(trifluoromethyl)pyridine-2-carbaldehyde. And the chemical formula of this chemical is C7H4F3NO.
Physical properties of 2-Pyridinecarboxaldehyde,3-(trifluoromethyl)-: (1)ACD/LogP: 1.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.41; (4)ACD/LogD (pH 7.4): 1.41; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 29.96 Å2; (9)Index of Refraction: 1.476; (10)Molar Refractivity: 36.07 cm3; (11)Molar Volume: 127.8 cm3; (12)Polarizability: 14.3×10-24cm3; (13)Surface Tension: 31.8 dyne/cm; (14)Density: 1.369 g/cm3; (15)Flash Point: 74.7 °C; (16)Enthalpy of Vaporization: 43.62 kJ/mol; (17)Boiling Point: 200 °C at 760 mmHg; (18)Vapour Pressure: 0.332 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1ncccc1C(F)(F)F
(2)InChI: InChI=1/C7H4F3NO/c8-7(9,10)5-2-1-3-11-6(5)4-12/h1-4H
(3)InChIKey: FIIIEUQXYKDPRD-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C7H4F3NO/c8-7(9,10)5-2-1-3-11-6(5)4-12/h1-4H
(5)Std. InChIKey: FIIIEUQXYKDPRD-UHFFFAOYSA-N