4,5-Dichloro-2-methyl-3(2H)-pyridazinone - CAS 933-76-6
Catalog: |
BB040895 |
Product Name: |
4,5-Dichloro-2-methyl-3(2H)-pyridazinone |
CAS: |
933-76-6 |
Synonyms: |
4,5-dichloro-2-methylpyridazin-3-one |
IUPAC Name: | 4,5-dichloro-2-methylpyridazin-3-one |
Description: | 4,5-Dichloro-2-methyl-3(2H)-pyridazinone (CAS# 933-76-6) is a Burex (C340000) intermediate that has an irritating effect on the respiratory pathways. |
Molecular Weight: | 179.00 |
Molecular Formula: | C5H4Cl2N2O |
Canonical SMILES: | CN1C(=O)C(=C(C=N1)Cl)Cl |
InChI: | InChI=1S/C5H4Cl2N2O/c1-9-5(10)4(7)3(6)2-8-9/h2H,1H3 |
InChI Key: | ACKBTCUMGAHRIE-UHFFFAOYSA-N |
Boiling Point: | 197.2 °C at 760 mmHg |
Density: | 1.55 g/cm3 |
Appearance: | Off-white to yellow low crystalline powder |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD00051686 |
LogP: | 1.08710 |
GHS Hazard Statement: | H301 (97.56%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P272, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021163519-A1 | Substituted 5,6-diphenyl-3(2h)-pyridazinones for use as fungicides | 20200214 |
WO-2020198026-A1 | Compounds and uses thereof | 20190322 |
WO-2019183587-A1 | Compounds and uses thereof | 20180323 |
AU-2019238326-A1 | Compounds and uses thereof | 20180323 |
BR-112020019191-A2 | COMPOUNDS AND THEIR USES | 20180323 |
PMID | Publication Date | Title | Journal |
21578787 | 20091111 | 4,5-Dichloro-2-methyl-pyridazin-3(2H)-one | Acta crystallographica. Section E, Structure reports online |
12926868 | 20030827 | Lipophilicity of aminopyridazinone regioisomers | Journal of agricultural and food chemistry |
Complexity: | 234 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.9700681 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.9700681 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 32.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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