4-Antipyrinecarboxaldehyde - CAS 950-81-2
Catalog: |
BB041609 |
Product Name: |
4-Antipyrinecarboxaldehyde |
CAS: |
950-81-2 |
Synonyms: |
1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbaldehyde |
IUPAC Name: | 1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbaldehyde |
Description: | A derivative of the analgesic drug Antipyrene with antiviral activity. |
Molecular Weight: | 216.24 |
Molecular Formula: | C12H12N2O2 |
Canonical SMILES: | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=O |
InChI: | InChI=1S/C12H12N2O2/c1-9-11(8-15)12(16)14(13(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3 |
InChI Key: | QFYZFYDOEJZMDX-UHFFFAOYSA-N |
Boiling Point: | 334.8 °C at 760 mmHg |
Density: | 1.292 g/cm3 |
Storage: | Inert atmosphere, Room Temperature |
MDL: | MFCD00003144 |
LogP: | 1.29690 |
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-2021110306-A1 | Multi-tone hair dyeing method in three steps | 20191203 |
US-2017360801-A1 | Bromodomain inhibitor as adjuvant in cancer immunotherapy | 20141205 |
US-2017145013-A1 | Dihydropteridinone derivatives and uses thereof | 20140808 |
US-9951074-B2 | Dihydropteridinone derivatives and uses thereof | 20140808 |
US-2015291521-A1 | Pyrrol-1-yl benzoic acid derivatives useful as myc inhibitors | 20121102 |
PMID | Publication Date | Title | Journal |
17505530 | 20070101 | Spectroscopic, thermal and biological studies on some trivalent ruthenium and rhodium NS chelating thiosemicarbazone complexes | Bioinorganic chemistry and applications |
Complexity: | 343 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.089877630 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.089877630 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 40.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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