trans-3-(2-Furyl)acrolein - CAS 39511-08-5
Catalog: |
BB024004 |
Product Name: |
trans-3-(2-Furyl)acrolein |
CAS: |
39511-08-5 |
Synonyms: |
(E)-3-(furan-2-yl)prop-2-enal |
IUPAC Name: | (E)-3-(furan-2-yl)prop-2-enal |
Description: | trans-3-(2-Furyl)acrolein (CAS# 39511-08-5) is a useful reagent in the synthesis of highly substituted tetrahydrofurans and tetrahydropyrans using double Michael addition strategy. A synthesis intermediate. |
Molecular Weight: | 122.12 |
Molecular Formula: | C7H6O2 |
Canonical SMILES: | C1=COC(=C1)C=CC=O |
InChI: | InChI=1S/C7H6O2/c8-5-1-3-7-4-2-6-9-7/h1-6H/b3-1+ |
InChI Key: | VZIRCHXYMBFNFD-HNQUOIGGSA-N |
Boiling Point: | 143 °C / 37 mmHg (lit.) |
Melting Point: | 129 °F |
Density: | 1.104 g/cm3 |
Solubility: | Insoluble (<1 mg/ml at 68.0 °F) |
Appearance: | Light brown to brown crystalline powder |
MDL: | MFCD00003256 |
LogP: | 1.49170 |
GHS Hazard Statement: | H302 (99.92%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
19199682 | 20090226 | Theoretical study on the stability of formylphenol and formylaniline compounds and corresponding radicals: O-H or N-H vs C-H bond dissociation | The journal of physical chemistry. A |
Complexity: | 118 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 122.036779430 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 122.036779430 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 30.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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