2'-(Trifluoromethoxy)acetophenone - CAS 220227-93-0
Catalog: |
BB017290 |
Product Name: |
2'-(Trifluoromethoxy)acetophenone |
CAS: |
220227-93-0 |
Synonyms: |
1-[2-(trifluoromethoxy)phenyl]ethanone; 1-[2-(trifluoromethoxy)phenyl]ethanone |
IUPAC Name: | 1-[2-(trifluoromethoxy)phenyl]ethanone |
Description: | 2'-(Trifluoromethoxy)acetophenone (CAS# 220227-93-0) is used in preparation of redox-active reagents for the ruthenium-catalyzed Difluoromethoxylation and Trifluoromethoxylation of arenes and heteroarenes under visible light. |
Molecular Weight: | 204.15 |
Molecular Formula: | C9H7F3O2 |
Canonical SMILES: | CC(=O)C1=CC=CC=C1OC(F)(F)F |
InChI: | InChI=1S/C9H7F3O2/c1-6(13)7-4-2-3-5-8(7)14-9(10,11)12/h2-5H,1H3 |
InChI Key: | XTXSTESGCXKUIH-UHFFFAOYSA-N |
Boiling Point: | 191.7 ℃ at 760 mmHg |
Density: | 1.265 g/cm3 |
MDL: | MFCD00236320 |
LogP: | 2.78780 |
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 |
KR-20200032880-A | Pharmacy composition for anti-cancer and expression depressant of ANO1 | 20180919 |
US-2020087250-A1 | Pharmaceutical composition for ano1 antagonist with anticancer activity | 20180919 |
KR-102131331-B1 | Pharmacy composition for anti-cancer and expression depressant of ANO1 | 20180919 |
WO-2020056072-A1 | 1h-indazole carboxamides as receptor-interacting protein kinase 1 inhibitors (ripk1) | 20180913 |
CN-112673000-A | 1H-indazole carboxamides as receptor interacting protein kinase 1 inhibitors (RIPK1) | 20180913 |
Complexity: | 213 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.03981395 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.03981395 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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