6-Fluoro-4-chromanone - CAS 66892-34-0
Catalog: |
BB033120 |
Product Name: |
6-Fluoro-4-chromanone |
CAS: |
66892-34-0 |
Synonyms: |
6-fluoro-2,3-dihydrochromen-4-one |
IUPAC Name: | 6-fluoro-2,3-dihydrochromen-4-one |
Description: | 6-Fluoro-4-chromanone was utilized in hydantoin synthesis of irreversible aldose reductase inhibitors. |
Molecular Weight: | 166.15 |
Molecular Formula: | C9H7FO2 |
Canonical SMILES: | C1COC2=C(C1=O)C=C(C=C2)F |
InChI: | InChI=1S/C9H7FO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5H,3-4H2 |
InChI Key: | SWBBIJZMIGAZHW-UHFFFAOYSA-N |
Boiling Point: | 281.9 ℃ at 760 mmHg |
Melting Point: | 114-116 ℃ |
Purity: | 99+ % (HPLC) |
Density: | 1.297 g/cm3 |
Appearance: | Pink-rose crystals |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00038654 |
LogP: | 1.79090 |
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 |
CN-110791483-A | Short-chain reductase and preparation method and application thereof | 20191205 |
WO-2021097139-A1 | Chiral synthesis of a tertiary alcohol | 20191115 |
US-10696663-B2 | Chromene derivatives as inhibitors of TCR-NCK interaction | 20180227 |
US-2019263792-A1 | Chromene derivatives as inhibitors of tcr-nck interaction | 20180227 |
WO-2019169001-A1 | Chromene derivatives as inhibitors of tcr-nck interaction | 20180227 |
PMID | Publication Date | Title | Journal |
18677993 | 20080701 | Carbonyl emissions from gasoline and diesel motor vehicles | Environmental science & technology |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.04300762 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.04300762 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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