4-Fluorophthalic anhydride - CAS 319-03-9
Catalog: |
BB021092 |
Product Name: |
4-Fluorophthalic anhydride |
CAS: |
319-03-9 |
Synonyms: |
5-fluoro-2-benzofuran-1,3-dione |
IUPAC Name: | 5-fluoro-2-benzofuran-1,3-dione |
Description: | 4-Fluorophthalic anhydride (CAS# 319-03-9) is a rigid M1/M3 muscarinic agonist affecting acetylcholine activity, used often in the treatment of Alzheimer's disease. |
Molecular Weight: | 166.11 |
Molecular Formula: | C8H3FO3 |
Canonical SMILES: | C1=CC2=C(C=C1F)C(=O)OC2=O |
InChI: | InChI=1S/C8H3FO3/c9-4-1-2-5-6(3-4)8(11)12-7(5)10/h1-3H |
InChI Key: | XVMKZAAFVWXIII-UHFFFAOYSA-N |
Boiling Point: | 304.1 °C at 760 mmHg |
Melting Point: | 75-78 °C |
Purity: | 98 % |
Density: | 1.55 g/cm3 |
Appearance: | White to light yellow crystal powder |
Storage: | Store in a cool, dry place. Store in a tightly closed container. |
MDL: | MFCD00191363 |
LogP: | 1.13630 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.00662212 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.00662212 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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