2-(Trifluoromethyl)pyridine-3-carboxylic acid - CAS 131747-43-8
Catalog: |
BB007481 |
Product Name: |
2-(Trifluoromethyl)pyridine-3-carboxylic acid |
CAS: |
131747-43-8 |
Synonyms: |
2-(trifluoromethyl)pyridine-3-carboxylic acid |
IUPAC Name: | 2-(trifluoromethyl)pyridine-3-carboxylic acid |
Description: | An intermediate for agrochemical fungicides. |
Molecular Weight: | 191.11 |
Molecular Formula: | C7H4F3NO2 |
Canonical SMILES: | C1=CC(=C(N=C1)C(F)(F)F)C(=O)O |
InChI: | InChI=1S/C7H4F3NO2/c8-7(9,10)5-4(6(12)13)2-1-3-11-5/h1-3H,(H,12,13) |
InChI Key: | BFROETNLEIAWNO-UHFFFAOYSA-N |
Boiling Point: | 259.9 °C at 760 mmHg |
Melting Point: | 184-188 °C |
Purity: | 95 % |
Density: | 1.484 g/cm3 |
Appearance: | White to light brown powder or crystal |
Storage: | Inert atmosphere, Room Temperature |
MDL: | MFCD01862052 |
LogP: | 1.79860 |
GHS Hazard Statement: | H301 (18.72%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P273, P301+P310, P321, P330, P391, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021080330-A1 | Nicotinamide compound and herbicidal composition comprising compound | 20191021 |
WO-2021032687-A1 | Antimalarial hexahydropyrimidine analogues | 20190819 |
WO-2020025574-A1 | Process for the preparation of 6-(haloalkyl)-2-halo-5-acylpyridines and intermediates for this process | 20180803 |
EP-3818052-A1 | Therapeutic heterocyclic compounds | 20180706 |
WO-2019244049-A1 | Cyanotriazole compounds and uses thereof | 20180619 |
PMID | Publication Date | Title | Journal |
18399636 | 20080501 | Efficient synthesis of 2-(trifluoromethyl)nicotinic acid derivatives from simple fluorinated precursors | Organic letters |
Complexity: | 204 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.01941286 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.01941286 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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