1-Phenyl-4,5-dichloro-6-pyridazone - CAS 1698-53-9
Catalog: |
BB012582 |
Product Name: |
1-Phenyl-4,5-dichloro-6-pyridazone |
CAS: |
1698-53-9 |
Synonyms: |
4,5-dichloro-2-phenylpyridazin-3-one |
IUPAC Name: | 4,5-dichloro-2-phenylpyridazin-3-one |
Description: | 1-Phenyl-4,5-dichloro-6-pyridazone (CAS# 1698-53-9) is part of a group of arylated pyridazin-3(2H)-one compounds that act as anti-cancer agents. 1-Phenyl-4,5-dichloro-6-pyridazone also has herbicidal activity. |
Molecular Weight: | 241.07 |
Molecular Formula: | C10H6Cl2N2O |
Canonical SMILES: | C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)Cl)Cl |
InChI: | InChI=1S/C10H6Cl2N2O/c11-8-6-13-14(10(15)9(8)12)7-4-2-1-3-5-7/h1-6H |
InChI Key: | VKWCOHVAHQOJGU-UHFFFAOYSA-N |
Boiling Point: | 354.7 °C at 760 mmHg |
Density: | 1.55 g/cm3 |
MDL: | MFCD00006470 |
LogP: | 2.53930 |
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 |
WO-2019104199-A1 | Small molecule agonists and antagonists of nr2f6 activity | 20171121 |
WO-2019104201-A1 | Small molecule agonists and antagonists of nr2f6 activity in non-humans | 20171121 |
US-10472351-B2 | Small molecule agonists and antagonists of NR2F6 activity in animals | 20160718 |
US-2018214413-A1 | Small Molecule Agonists and Antagonists of NR2F6 Activity in Humans | 20160718 |
US-2019054118-A1 | Small Molecule Agonists and Antagonists of NR2F6 Activity in Animals | 20160718 |
PMID | Publication Date | Title | Journal |
19781950 | 20091015 | Discovery and structure-activity relationship analysis of Staphylococcus aureus sortase A inhibitors | Bioorganic & medicinal chemistry |
Complexity: | 332 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.9857182 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.9857182 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 32.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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