Benzofuran-2(3H)-one - CAS 553-86-6
Catalog: |
BB029022 |
Product Name: |
Benzofuran-2(3H)-one |
CAS: |
553-86-6 |
Synonyms: |
3H-benzofuran-2-one; 3H-1-benzofuran-2-one |
IUPAC Name: | 3H-1-benzofuran-2-one |
Description: | Benzofuran-2(3H)-one (CAS# 553-86-6) is used in the synthesis of indolinones and analogues in the treatment of cancers. Also used in the synthesis of antitumor bis-indole derivatives. Impurity in the synthesis of Azoxystrobin (A965150). |
Molecular Weight: | 134.13 |
Molecular Formula: | C8H6O2 |
Canonical SMILES: | C1C2=CC=CC=C2OC1=O |
InChI: | InChI=1S/C8H6O2/c9-8-5-6-3-1-2-4-7(6)10-8/h1-4H,5H2 |
InChI Key: | ACZGCWSMSTYWDQ-UHFFFAOYSA-N |
Boiling Point: | 248-250 °C |
Density: | 1.22 g/cm3 |
MDL: | MFCD00005856 |
LogP: | 1.14810 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P272, P280, P302+P352, P305+P351+P338, P321, P332+P313, P333+P313, P337+P313, P362, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113501799-A | Eudesmane type sesquiterpene geranyl benzofuranone heterozygote and preparation method and application thereof | 20210913 |
CN-113308080-A | Flexible low-temperature-resistant cable material | 20210628 |
CN-113308108-A | Composition for photovoltaic junction box | 20210628 |
CN-113337065-A | Halogen-free flame-retardant cable material | 20210628 |
CN-113372707-A | Composition for shell of power lithium battery pack | 20210628 |
PMID | Publication Date | Title | Journal |
22525222 | 20120701 | Agropyrenol and agropyrenal, phytotoxins from Ascochyta agropyrina var. nana, a fungal pathogen of Elitrigia repens | Phytochemistry |
22089821 | 20120114 | Asymmetric Michael addition reactions of 3-substituted benzofuran-2(3H)-ones to nitroolefins catalyzed by a bifunctional tertiary-amine thiourea | Organic & biomolecular chemistry |
21701983 | 20120101 | Identification of phenylalkane derivatives when Mycobacterium neoaurum and Rhodococcus erythropolis were cultured in the presence of various phenylalkanes | Applied microbiology and biotechnology |
22550500 | 20120101 | Histone deacetylase inhibitors in cell pluripotency, differentiation, and reprogramming | Stem cells international |
22219986 | 20111101 | (Z)-2-(4-Nitro-benzyl-idene)-1-benzofuran-3(2H)-one | Acta crystallographica. Section E, Structure reports online |
Complexity: | 153 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 134.036779430 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 134.036779430 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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Related Functional Groups
Benzofuran/Benzothiophene
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