(1,10-Phenanthroline)(trifluoromethyl)copper(I) - CAS 1300746-79-5

Name: (1,10-Phenanthroline)(trifluoromethyl)copper(I)
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB007044
Product Name:	(1,10-Phenanthroline)(trifluoromethyl)copper(I)
CAS:	1300746-79-5
Synonyms:	copper(1+);1,10-phenanthroline;trifluoromethane

Technical Data

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