Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-Pyridinecarboxylicacid, 3-chloro-5-(trifluoromethyl)- |
EINECS | N/A |
CAS No. | 80194-68-9 | Density | 1.603 g/cm3 |
PSA | 50.19000 | LogP | 2.45200 |
Solubility | N/A | Melting Point |
141-143 °C |
Formula | C7H3ClF3NO2 | Boiling Point | 269.6 °C at 760 mmHg |
Molecular Weight | 225.555 | Flash Point | 116.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Chloro-5-trifluoromethyl-pyridine-2-carboxylicacid; |
Article Data | 6 |
The 2-Pyridinecarboxylicacid, 3-chloro-5-(trifluoromethyl)-, with the CAS registry number 80194-68-9, is also known as 3-Chloro-5-(trifluoromethyl)-2-pyridinecarboxylic acid. This chemical's molecular formula is C7H3ClF3NO2 and molecular weight is 225.55. What's more, both its IUPAC name and systematic name are the same which is called 3-Chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid.
Physical properties about 2-Pyridinecarboxylicacid, 3-chloro-5-(trifluoromethyl)- are: (1)ACD/LogP: 1.70; (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): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 39.19 Å2; (11)Index of Refraction: 1.496; (12)Molar Refractivity: 41.14 cm3; (13)Molar Volume: 140.6 cm3; (14)Surface Tension: 41.3 dyne/cm; (15)Density: 1.603 g/cm3; (16)Flash Point: 116.9 °C; (17)Enthalpy of Vaporization: 53.64 kJ/mol; (18)Boiling Point: 269.6 °C at 760 mmHg; (19)Vapour Pressure: 0.00353 mmHg at 25 °C; (20)Melting Point: 141-143 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(cnc1C(=O)O)C(F)(F)F
(2) InChI: InChI=1/C7H3ClF3NO2/c8-4-1-3(7(9,10)11)2-12-5(4)6(13)14/h1-2H,(H,13,14)
(3) InChIKey: HXRMCZBDTDCCOP-UHFFFAOYAC