4-(2,2,2-Trifluoroethoxy)aniline - CAS 57946-61-9

Catalog:	BB029871
Product Name:	4-(2,2,2-Trifluoroethoxy)aniline
CAS:	57946-61-9
Synonyms:	4-(2,2,2-trifluoroethoxy)aniline; 4-(2,2,2-trifluoroethoxy)aniline

Technical Data

Patents

Computed Properties

IUPAC Name:	4-(2,2,2-trifluoroethoxy)aniline
Description:	4-(2,2,2-Trifluoroethoxy)aniline (CAS# 57946-61-9) is a useful research chemical.
Molecular Weight:	191.15
Molecular Formula:	C8H8F3NO
Canonical SMILES:	C1=CC(=CC=C1N)OCC(F)(F)F
InChI:	InChI=1S/C8H8F3NO/c9-8(10,11)5-13-7-3-1-6(12)2-4-7/h1-4H,5,12H2
InChI Key:	OXFDNUZWKFKMSB-UHFFFAOYSA-N
Boiling Point:	227.3 °C at 760 mmHg
Density:	1.286 g/cm³
MDL:	MFCD00077606
LogP:	2.79110

Publication Number	Title	Priority Date
US-2021174983-A1	Compositions for the filling of high aspect ratio vertical interconnect access (via) holes	20191204
WO-2021112933-A1	Compositions for the filling of high aspect ratio vertical interconnect access (via) holes	20191204
WO-2021020362-A1	Heterocyclic compound	20190729
WO-2021020363-A1	Heterocyclic compound	20190729
CN-110483366-A	Benzazole compounds and preparation method thereof, pharmaceutical composition and purposes	20180514

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Complexity:	152
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	191.05579836
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	191.05579836
Rotatable Bond Count:	2
Topological Polar Surface Area:	35.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2