2-Fluoro-4-(trifluoromethyl)benzoyl chloride - CAS 126917-10-0
Catalog: |
BB006701 |
Product Name: |
2-Fluoro-4-(trifluoromethyl)benzoyl chloride |
CAS: |
126917-10-0 |
Synonyms: |
2-fluoro-4-(trifluoromethyl)benzoyl chloride |
IUPAC Name: | 2-fluoro-4-(trifluoromethyl)benzoyl chloride |
Description: | 2-Fluoro-4-(trifluoromethyl)benzoyl chloride (CAS# 126917-10-0) is a useful research chemical. |
Molecular Weight: | 226.56 |
Molecular Formula: | C8H3ClF4O |
Canonical SMILES: | C1=CC(=C(C=C1C(F)(F)F)F)C(=O)Cl |
InChI: | InChI=1S/C8H3ClF4O/c9-7(14)5-2-1-4(3-6(5)10)8(11,12)13/h1-3H |
InChI Key: | OOAHPLWBUUTFMV-UHFFFAOYSA-N |
Boiling Point: | 188 °C |
Purity: | 95 % |
Density: | 1.5 g/mL at 25 °C (lit.) |
Appearance: | Colorless liquid |
MDL: | MFCD00061155 |
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 |
WO-2021204626-A1 | Aryl and heteroaryl-carboxamide substituted heteroaryl compounds as tyk2 inhibitors | 20200406 |
WO-2020206119-A1 | Process for making pyridone amides and prodrugs thereof useful as modulators of sodium channels | 20190402 |
WO-2020140959-A1 | 6-oxo-1,6-dihydropyridazine derivative, preparation method therefor and medical use thereof | 20190104 |
TW-202039443-A | 6-oxo-1,6-dihydropyridazin derivative, a preparation method thereof and a medical use thereof | 20190104 |
CN-112955436-A | 6-oxo-1, 6-dihydropyridazine derivatives, preparation method and application thereof in medicines | 20190104 |
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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