2,3,5-Trifluoropyridine-4-carboxylic acid - CAS 675602-91-2
Catalog: |
BB033326 |
Product Name: |
2,3,5-Trifluoropyridine-4-carboxylic acid |
CAS: |
675602-91-2 |
Synonyms: |
2,3,5-trifluoropyridine-4-carboxylic acid |
IUPAC Name: | 2,3,5-trifluoropyridine-4-carboxylic acid |
Description: | 2,3,5-Trifluoropyridine-4-carboxylic acid (CAS# 675602-91-2) is a useful research chemical. |
Molecular Weight: | 177.08 |
Molecular Formula: | C6H2F3NO2 |
Canonical SMILES: | C1=C(C(=C(C(=N1)F)F)C(=O)O)F |
InChI: | InChI=1S/C6H2F3NO2/c7-2-1-10-5(9)4(8)3(2)6(11)12/h1H,(H,11,12) |
InChI Key: | UKLNELOJJKZMLJ-UHFFFAOYSA-N |
Boiling Point: | 332.2 °C at 760 mmHg |
Density: | 1.642 g/cm3 |
Appearance: | White to tan solid |
MDL: | MFCD03840205 |
LogP: | 1.19710 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-4968803-A | Process for the preparation of 2-hydroxypyridine or quinoline compounds | 19890410 |
Complexity: | 190 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.00376279 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.00376279 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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