AG005WKJ

94525-05-0 | 4,4'-[1,4-Phenylenebis(oxy)]bis[3-(trifluoromethyl)aniline]

AG005WKJ

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CAS Number	94525-05-0
Catalog Number	AG005WKJ(AGN-PC-02KCGL)
Chemical Name	4,4'-[1,4-Phenylenebis(oxy)]bis[3-(trifluoromethyl)aniline]
IUPAC Name	4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenoxy]-3-(trifluoromethyl)aniline
InChI	InChI=1S/C20H14F6N2O2/c21-19(22,23)15-9-11(27)1-7-17(15)29-13-3-5-14(6-4-13)30-18-8-2-12(28)10-16(18)20(24,25)26/h1-10H,27-28H2
InChI Key	LACZRKUWKHQVKS-UHFFFAOYSA-N
MDL Number	MFCD07368071
Molecular Formula	C20H14F6N2O2
Molecular Weight	428.3278
SMILES	NC1=CC=C(OC2=CC=C(OC3=CC=C(C=C3C(F)(F)F)N)C=C2)C(C(F)(F)F)=C1
Synonyms	94525-05-0, 1,4-bis(4-amino-2-trifluoromethylphenoxy)benzene, 4,4'-(1,4-Phenylenebis(oxy))bis(3-(trifluoromethyl)aniline), 4,4'-[1,4-PHENYLENEBIS(OXY)]BIS[3-(TRIFLUOROMETHYL)ANILINE], 4,4'-[1,4-Phenylenebis(oxy)]bis[3-(trifluoromethyl]benzenamine, Benzenamine, 4,4'-[1,4-phenylenebis(oxy)]bis[3-(trifluoromethyl)-, 4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenoxy]-3-(trifluoromethyl)aniline, 4-{4-[4-amino-2-(trifluoromethyl)phenoxy]phenoxy}-3-(trifluoromethyl)aniline, Am 81, SCHEMBL649657, CTK3I5597, DTXSID20600107, KS-000017OE, MFCD07368071, ZINC21985303, AKOS015961695, ACN-052728, AC-14700, AJ-79341, B4428, 525P050, 1,4-bis(4-amino-2-trifluoromethylphenoxy)benzene(p-6fapb), 1,4-Bis(4-aMino-2-trifluoromethylphenoxy)benzene (p-6FAPB), 4,4'-[1,4-Phenylenebis(oxy)]bis[3-(trifluoromethyl)]benzenamine, 1,4-Bis(4-amino-2-trifluoromethylphenoxy)benzene, 99% - 25G 25g,

Complexity	502
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	428.096g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	428.334g/mol
Monoisotopic Mass	428.096g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	70.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P501
UN Code

Certificate of Analysis

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