5-Bromo-2-furaldehyde - CAS 1899-24-7
Catalog: |
BB014680 |
Product Name: |
5-Bromo-2-furaldehyde |
CAS: |
1899-24-7 |
Synonyms: |
5-bromofuran-2-carbaldehyde |
IUPAC Name: | 5-bromofuran-2-carbaldehyde |
Description: | 5-Bromofuran-2-carboxaldehyde used in the preparation of isoindolinones from furfural. Also used in the preparation of brominated nitrovinylfuran which displays antibacterial activity. |
Molecular Weight: | 174.98 |
Molecular Formula: | C5H3BrO2 |
Canonical SMILES: | C1=C(OC(=C1)Br)C=O |
InChI: | InChI=1S/C5H3BrO2/c6-5-2-1-4(3-7)8-5/h1-3H |
InChI Key: | WJTFHWXMITZNHS-UHFFFAOYSA-N |
Boiling Point: | 201 °C |
Density: | 1.748 g/cm3 |
MDL: | MFCD00159501 |
LogP: | 1.85460 |
GHS Hazard Statement: | H302 (95.56%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
18302410 | 20080321 | From furans to anilines: toward one-pot two-step amination/diels-alder sequences | The Journal of organic chemistry |
Complexity: | 94.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.93164 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.93164 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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