4'-Fluoro-3'-nitroacetophenone - CAS 400-93-1
Catalog: |
BB024305 |
Product Name: |
4'-Fluoro-3'-nitroacetophenone |
CAS: |
400-93-1 |
Synonyms: |
1-(4-fluoro-3-nitrophenyl)ethanone |
IUPAC Name: | 1-(4-fluoro-3-nitrophenyl)ethanone |
Description: | 4'-Fluoro-3'-nitroacetophenone (CAS# 400-93-1) is used as reactant/reagent in preparation of substituted furans via copper-catalyzed radical addition of acetophenones to alkynes. |
Molecular Weight: | 183.14 |
Molecular Formula: | C8H6FNO3 |
Canonical SMILES: | CC(=O)C1=CC(=C(C=C1)F)[N+](=O)[O-] |
InChI: | InChI=1S/C8H6FNO3/c1-5(11)6-2-3-7(9)8(4-6)10(12)13/h2-4H,1H3 |
InChI Key: | PTCNZDJJIOLIKQ-UHFFFAOYSA-N |
Boiling Point: | 261.2 °C at 760 mmHg |
Purity: | > 98.0 % (GC) |
Density: | 1.336 g/cm3 |
Appearance: | Light yellow crystalline powder |
MDL: | MFCD00115369 |
LogP: | 2.45970 |
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-110330477-B | Phenyl thiophene sulfonamide compound, pharmaceutical composition, preparation method and application thereof | 20190719 |
WO-2020104822-A1 | Compounds | 20181123 |
CN-113056305-A | Compound (I) | 20181123 |
EP-3883650-A1 | Compounds | 20181123 |
BR-112020018718-A2 | SPIROCYCLIC ROR-GAMMA MODULATORS | 20180312 |
Complexity: | 226 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.03317122 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.03317122 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 62.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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