3,6-Dichloropyridazine-4-carboxylic acid - CAS 51149-08-7
Catalog: |
BB027347 |
Product Name: |
3,6-Dichloropyridazine-4-carboxylic acid |
CAS: |
51149-08-7 |
Synonyms: |
3,6-dichloropyridazine-4-carboxylic acid |
IUPAC Name: | 3,6-dichloropyridazine-4-carboxylic acid |
Description: | 3,6-Dichloropyridazine-4-carboxylic acid (CAS# 51149-08-7) is a new heterocyclic building block, used in the synthesis of more complex pharmaceutical and biologically active compounds. It can be used in the synthesis of fused [1,2,4]triazolo[4,3-b]pyridazine derivatives, possessing significant antibacterial and antifungal activity. |
Molecular Weight: | 192.99 |
Molecular Formula: | C5H2Cl2N2O2 |
Canonical SMILES: | C1=C(C(=NN=C1Cl)Cl)C(=O)O |
InChI: | InChI=1S/C5H2Cl2N2O2/c6-3-1-2(5(10)11)4(7)9-8-3/h1H,(H,10,11) |
InChI Key: | FRCXPDWDMAYSCE-UHFFFAOYSA-N |
Boiling Point: | 424.8 °C at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.718 g/cm3 |
Appearance: | Beige powder |
MDL: | MFCD00011575 |
LogP: | 1.48160 |
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-2021099518-A1 | Novel compounds for the diagnosis, treatment and prevention of diseases associated with the aggregation of alpha-synuclein | 20191119 |
WO-2020127780-A1 | Heterocyclyl pyridazine as fungicidal compounds | 20181220 |
EP-3898620-A1 | Heterocyclyl pyridazine as fungicidal compounds | 20181220 |
KR-20210106492-A | Heterocyclyl pyridazine as a fungicidal compound | 20181220 |
WO-2020109391-A1 | Pyridazine (thio)amides as fungicidal compounds | 20181128 |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.9493327 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.9493327 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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Related Functional Groups
Carbonyl Compounds
Pyridazines
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