4,5-Dichloro-3-hydroxypyridazine - CAS 932-22-9
Catalog: |
BB040809 |
Product Name: |
4,5-Dichloro-3-hydroxypyridazine |
CAS: |
932-22-9 |
Synonyms: |
4,5-dichloro-1H-pyridazin-6-one |
IUPAC Name: | 4,5-dichloro-1H-pyridazin-6-one |
Description: | A new labelled substituted pyridazinone with tuberculostatic action. |
Molecular Weight: | 164.98 |
Molecular Formula: | C4H2Cl2N2O |
Canonical SMILES: | C1=NNC(=O)C(=C1Cl)Cl |
InChI: | InChI=1S/C4H2Cl2N2O/c5-2-1-7-8-4(9)3(2)6/h1H,(H,8,9) |
InChI Key: | VJWXIRQLLGYIDI-UHFFFAOYSA-N |
Boiling Point: | 339.2 °C at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.76 g/cm3 |
Storage: | Keep in dark place, Sealed in dry, Room Temperature |
MDL: | MFCD00051504 |
LogP: | 1.07670 |
GHS Hazard Statement: | H302 (85.11%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021198239-A1 | Compounds and methods for cd73 modulation and indications therefor | 20191206 |
WO-2021113625-A1 | Compounds and methods for cd73 modulation and indications therefor | 20191206 |
KR-102245292-B1 | Method of producing a natural dye ink for digital textile priting using the coffee sludge | 20191106 |
KR-20210054715-A | Low temperature plasma processing method of digital textile priting fabric using natural dye ink | 20191106 |
US-2021130342-A1 | Pyridazinones as parp7 inhibitors | 20191030 |
PMID | Publication Date | Title | Journal |
16043044 | 20050901 | Vibrational spectra and potential energy distributions for 4,5-dichloro-3-hydroxypyridazine by density functional theory and normal coordinate calculations | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
Complexity: | 209 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.9544181 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.9544181 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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