5-Bromoisatin - CAS 87-48-9
Catalog: |
BB038499 |
Product Name: |
5-Bromoisatin |
CAS: |
87-48-9 |
Synonyms: |
5-bromo-1H-indole-2,3-dione |
IUPAC Name: | 5-bromo-1H-indole-2,3-dione |
Description: | 5-Bromoisatin (CAS# 87-48-9) is a useful research chemical. |
Molecular Weight: | 226.03 |
Molecular Formula: | C8H4BrNO2 |
Canonical SMILES: | C1=CC2=C(C=C1Br)C(=O)C(=O)N2 |
InChI: | InChI=1S/C8H4BrNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12) |
InChI Key: | MBVCESWADCIXJN-UHFFFAOYSA-N |
Boiling Point: | 136 °C |
Density: | 1.826 g/cm3 |
MDL: | MFCD00149345 |
LogP: | 1.72190 |
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, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112300178-A | Preparation and application of 5-bromoquinazoline derivative | 20201103 |
CN-112300178-B | Preparation and application of 5-bromoquinazoline derivative | 20201103 |
CN-112321571-A | 2-furan-quinoline-4-formamide compound and application thereof | 20201027 |
CN-112175217-A | Anion exchange membrane containing arylene piperidine and diketone monomer copolymer and preparation method and application thereof | 20200901 |
CN-111777619-A | 2-oxo spiro [ indoline-3, 4' -pyran ] ketone compound and synthesis method and application thereof | 20200814 |
PMID | Publication Date | Title | Journal |
22259522 | 20120101 | 5-Bromo-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indole-2,3-dione | Acta crystallographica. Section E, Structure reports online |
21681810 | 20110801 | Synthesis and anticancer activity of isatin-based pyrazolines and thiazolidines conjugates | Archiv der Pharmazie |
21837177 | 20110701 | 1-(5-Bromo-2-oxoindolin-3-yl-idene)thio-semicarbazide acetonitrile monosolvate | Acta crystallographica. Section E, Structure reports online |
21949661 | 20110101 | Synthesis characterization and biological activity study of new schiff and mannich bases and some metal complexes derived from isatin and dithiooxamide | Bioinorganic chemistry and applications |
20056518 | 20100301 | QSAR study of isatin analogues as in vitro anti-cancer agents | European journal of medicinal chemistry |
Complexity: | 241 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.94254 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.94254 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 46.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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