AG003B5J

99479-66-0 | 2,6-Dichloro-4-(trifluoromethoxy)aniline

AG003B5J

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CAS Number	99479-66-0
Catalog Number	AG003B5J(AGN-PC-0JUYLK)
Chemical Name	2,6-Dichloro-4-(trifluoromethoxy)aniline
IUPAC Name	2,6-dichloro-4-(trifluoromethoxy)aniline
InChI	InChI=1S/C7H4Cl2F3NO/c8-4-1-3(14-7(10,11)12)2-5(9)6(4)13/h1-2H,13H2
InChI Key	FKISQWQHZULEEG-UHFFFAOYSA-N
MDL Number	MFCD00190128
Molecular Formula	C7H4Cl2F3NO
Molecular Weight	246.0140
SMILES	NC1=C(Cl)C=C(OC(F)(F)F)C=C1Cl
Synonyms	2,6-Dichloro-4-(trifluoromethoxy)aniline, 99479-66-0, 2,6-Dichloro-4-trifluoromethoxyaniline, MFCD00190128, 2,6-Dichloro-4-(trifluoromethoxy)aniline, 96%, Benzenamine, 2,6-dichloro-4-(trifluoromethoxy)-, 2,6-dichloro-4-(trifluoromethoxy)phenylamine, PubChem8461, ACMC-209scs, AC1LELO0, 3.5-Dichloro-4-amino trifluoromethoxybenzene, C7H4Cl2F3NO, SCHEMBL342267, CTK3I8658, ZINC56967, DTXSID10350846, FKISQWQHZULEEG-UHFFFAOYSA-N, JRD-0738, KS-000011PN, ZX-AP002643, ANW-41018, PC6533, SBB003181, AKOS015850210, AM82808, FCH1322632, MCULE-5501418125, PS-7528, RTR-030448, VZ22880, AJ-09516, AK113472, AN-34513, BC220375, CC-08010, ZB001901, 2,6-dichloro-4-trifluoromethoxy-phenylamine, AB0043311, AX8010262, DB-030803, TR-030448, 3,5-dichloro-4-amino trifluoromethoxybenzene, 3,5-dichloro-4-aminotrifluoromethoxy benzene, CS-0081165, D3802, FT-0610572, ST24038821, ST50319544, Z1216, 2,6-dichloro-4-(trifluoromethoxy)benzenamine, 2,6-dichloro-4-[(trifluoromethyl)oxy]aniline, Q-8681, 2-Amino-1,3-dichloro-5-(trifluoromethoxy)benzene, C-14956, I01-6198, I14-28355, 4-Amino-3,5-dichloro-alpha,alpha,alpha-trifluoroanisole, InChI=1/C7H4Cl2F3NO/c8-4-1-3(14-7(10,11)12)2-5(9)6(4)13/h1-2H,13H, 2,6-DICHLORO-4- ANILINE, CID688247, ZINC00056967, A11330,

Complexity	190
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	244.962g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	246.01g/mol
Monoisotopic Mass	244.962g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	35.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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