(1,10-Phenanthroline)(trifluoromethyl)copper(I) - CAS 1300746-79-5
Catalog: |
BB007044 |
Product Name: |
(1,10-Phenanthroline)(trifluoromethyl)copper(I) |
CAS: |
1300746-79-5 |
Synonyms: |
copper(1+);1,10-phenanthroline;trifluoromethane |
IUPAC Name: | copper(1+);1,10-phenanthroline;trifluoromethane |
Description: | (1,10-Phenanthroline)(trifluoromethyl)copper(I) (CAS# 1300746-79-5) is used as a catalyst in the oxtidative trifluoromethylation of heteroarenes. |
Molecular Weight: | 312.76 |
Molecular Formula: | C13H8CuF3N2 |
Canonical SMILES: | C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[C-](F)(F)F.[Cu+] |
InChI: | InChI=1S/C12H8N2.CF3.Cu/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2-1(3)4;/h1-8H;;/q;-1;+1 |
InChI Key: | HFYRAUCEONFIPJ-UHFFFAOYSA-N |
Appearance: | Solid |
Storage: | Keep in dark place, Inert atmosphere, 2-8 °C |
LogP: | 4.12240 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021080929-A1 | N-(heteroaryl) quinazolin-2-amine derivatives as lrrk2 inhibitors, pharmaceutical compositions, and uses thereof | 20191025 |
EP-3096754-B1 | Metallo-beta-lactamase inhibitors | 20140122 |
US-2016333021-A1 | Metallo-beta-lactamase inhibitors | 20140122 |
US-9708336-B2 | Metallo-beta-lactamase inhibitors | 20140122 |
EP-3082810-B1 | Erk inhibitors | 20131218 |
Complexity: | 191 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 311.993555 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 311.993555 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 25.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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