3-Chloro-6-(trifluoromethyl)pyridazine - CAS 258506-68-2
Catalog: |
BB019048 |
Product Name: |
3-Chloro-6-(trifluoromethyl)pyridazine |
CAS: |
258506-68-2 |
Synonyms: |
3-chloro-6-(trifluoromethyl)pyridazine; 3-chloro-6-(trifluoromethyl)pyridazine |
IUPAC Name: | 3-chloro-6-(trifluoromethyl)pyridazine |
Description: | 3-Chloro-6-(trifluoromethyl)pyridazine (CAS# 258506-68-2) is a general reagent for use in the repositioning of antitubercular oxazoles for certain neglected tropical diseases. |
Molecular Weight: | 182.53 |
Molecular Formula: | C5H2ClF3N2 |
Canonical SMILES: | C1=CC(=NN=C1C(F)(F)F)Cl |
InChI: | InChI=1S/C5H2ClF3N2/c6-4-2-1-3(10-11-4)5(7,8)9/h1-2H |
InChI Key: | AZNKQIFEMQHORS-UHFFFAOYSA-N |
Boiling Point: | 233.3 °C at 760 mmHg |
Density: | 1.504 g/cm3 |
Appearance: | White powder |
MDL: | MFCD08275188 |
LogP: | 2.14880 |
GHS Hazard Statement: | H301 (92.86%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P310, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021154966-A1 | Compounds and compositions for use in treating skin disorders | 20200129 |
WO-2021134004-A1 | Cyclic compounds and methods of using same | 20191227 |
WO-2021123291-A1 | Oga inhibitor compounds | 20191218 |
WO-2021012018-A1 | Inhibitor compounds | 20190724 |
WO-2021011722-A1 | Molecules having certain pesticidal utilities, and intermediates, compositions, and processes related thereto | 20190717 |
Complexity: | 138 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.9858603 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.9858603 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 25.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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