3,6-Dichloro-4-(trifluoromethyl)pyridazine - CAS 1057672-68-0
Catalog: |
BB001712 |
Product Name: |
3,6-Dichloro-4-(trifluoromethyl)pyridazine |
CAS: |
1057672-68-0 |
Synonyms: |
3,6-dichloro-4-(trifluoromethyl)pyridazine |
IUPAC Name: | 3,6-dichloro-4-(trifluoromethyl)pyridazine |
Description: | 3,6-Dichloro-4-(trifluoromethyl)pyridazine (CAS# 1057672-68-0) is a useful research chemical. |
Molecular Weight: | 216.98 |
Molecular Formula: | C5HCl2F3N2 |
Canonical SMILES: | C1=C(C(=NN=C1Cl)Cl)C(F)(F)F |
InChI: | InChI=1S/C5HCl2F3N2/c6-3-1-2(5(8,9)10)4(7)12-11-3/h1H |
InChI Key: | FCAYXJJTFRBHIQ-UHFFFAOYSA-N |
Purity: | 95 % |
Appearance: | Solid |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD08704310 |
LogP: | 2.80220 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021119254-A1 | Antagonists of the muscarinic acetylcholine receptor m4 | 20191210 |
WO-2021018857-A1 | 3,6-diamino-pyridazin-3-yl derivatives, pharmaceutical compositions containing them and their uses as pro-apoptotic agents | 20190729 |
US-2020361898-A1 | Nlrp3 inflammasome inhibitors | 20190517 |
US-2020361899-A1 | Nlrp3 inflammasome inhibitors | 20190517 |
WO-2020234715-A1 | Nlrp3 inflammasome inhibitors | 20190517 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.9468879 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.9468879 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 25.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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