2-Fluoro-3-(trifluoromethyl)benzoyl chloride - CAS 208173-19-7
Catalog: |
BB016324 |
Product Name: |
2-Fluoro-3-(trifluoromethyl)benzoyl chloride |
CAS: |
208173-19-7 |
Synonyms: |
2-fluoro-3-(trifluoromethyl)benzoyl chloride |
IUPAC Name: | 2-fluoro-3-(trifluoromethyl)benzoyl chloride |
Description: | 2-Fluoro-3-(trifluoromethyl)benzoyl chloride (CAS# 208173-19-7) is a building block used for the synthesis of more complex pharmaceutical and biologically active compounds. It can be used for the synthesis of highly potent novel ketoamide-based cathepsin S inhibitors. |
Molecular Weight: | 226.56 |
Molecular Formula: | C8H3ClF4O |
Canonical SMILES: | C1=CC(=C(C(=C1)C(F)(F)F)F)C(=O)Cl |
InChI: | InChI=1S/C8H3ClF4O/c9-7(14)4-2-1-3-5(6(4)10)8(11,12)13/h1-3H |
InChI Key: | RIKGRFSGIOOYEK-UHFFFAOYSA-N |
Boiling Point: | 192 °C |
Purity: | > 98.0 % (GC) (T) |
Density: | 1.51 g/cm3 |
Appearance: | Colorless to yellow liquid |
MDL: | MFCD00061154 |
LogP: | 3.22350 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112624911-A | 2-chloro-3-fluoro-4- (trifluoromethyl) benzaldehyde and synthetic method thereof | 20210115 |
WO-2020070088-A1 | Flavone derivatives for the treatment and prophylaxis of hepatitis b virus disease | 20181003 |
CN-112912371-A | Flavone derivatives for treating and preventing hepatitis B virus diseases | 20181003 |
EP-3860984-A1 | Flavone derivatives for the treatment and prophylaxis of hepatitis b virus disease | 20181003 |
CN-108409686-A | A kind of drug and preparation method thereof can be used for preparing treatment respiratory syncytial virus infection | 20180408 |
Complexity: | 228 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.9808551 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.9808551 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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