Piperonyloyl chloride - CAS 25054-53-9
Catalog: |
BB018719 |
Product Name: |
Piperonyloyl chloride |
CAS: |
25054-53-9 |
Synonyms: |
1,3-benzodioxole-5-carbonyl chloride |
IUPAC Name: | 1,3-benzodioxole-5-carbonyl chloride |
Description: | 1,3-Benzodioxole-5-carbonyl Chloride can be used to induce MSH2-dependent apoptotic pathway. |
Molecular Weight: | 184.58 |
Molecular Formula: | C8H5ClO3 |
Canonical SMILES: | C1OC2=C(O1)C=C(C=C2)C(=O)Cl |
InChI: | InChI=1S/C8H5ClO3/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2 |
InChI Key: | ZRSGZIMDIHBXIN-UHFFFAOYSA-N |
Boiling Point: | 155 °C (25 mmHg) |
Melting Point: | 78-79 °C |
Purity: | 95 % |
Density: | 1.453 g/cm3 |
Appearance: | Off-white to blue-grey crystalline powder |
MDL: | MFCD00016904 |
LogP: | 1.79430 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020154471-A1 | Dihydroxy lactam based polymers, compositions and applications thereof | 20190124 |
JP-2021525751-A | Strong inhibitor of D-amino acid oxidase (DAAO) and its use | 20180529 |
AU-2017359276-A1 | Selective inhibitors of genotoxic stress-induced IKK/NF-κÎ' pathways | 20161114 |
CA-3041832-A1 | Selective inhibitors of genotoxic stress-induced ikk/nf-kb pathways | 20161114 |
EP-3321264-A1 | Selective inhibitors of genotoxic stress-induced ikk/nf-kb pathways | 20161114 |
PMID | Publication Date | Title | Journal |
19966921 | 20091118 | Design and Synthesis of Imidazopyrimidine Derivatives as Potent iNOS Dimerization Inhibitors | The open medicinal chemistry journal |
Complexity: | 195 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.9927217 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.9927217 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 35.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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