-
Name
3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDINE-2-CARBOXYLIC ACID
- EINECS
- CAS No. 80194-68-9
- Article Data6
- CAS DataBase
- Density 1.603 g/cm3
- Solubility
- 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
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 3-Chloro-5-trifluoromethyl-pyridine-2-carboxylicacid;
- PSA 50.19000
- LogP 2.45200
2-Pyridinecarboxylicacid, 3-chloro-5-(trifluoromethyl)- Specification
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
Related Products
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- 2-Pyridinecarboxylicacid, 1-oxide
- 2-Pyridinecarboxylicacid, 3-(4-methoxybenzoyl)-
- 2-Pyridinecarboxylicacid, 3,5-dimethyl-
- 2-Pyridinecarboxylicacid, 3-chloro-5-(trifluoromethyl)-
- 2-Pyridinecarboxylicacid, 3-chloro-5-(trifluoromethyl)-, ethyl ester
- 2-Pyridinecarboxylicacid, 3-cyano-, methyl ester
- 2-Pyridinecarboxylicacid, 3-fluoro-, methyl ester
- 2-Pyridinecarboxylicacid, 3-iodo-
- 2-Pyridinecarboxylicacid, 3-methoxy-
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