AG006X9Z

51332-24-2 | 4-Bromo-N,N-dimethyl-3-(trifluoromethyl)aniline

AG006X9Z

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CAS Number	51332-24-2
Catalog Number	AG006X9Z(AGN-PC-0JUYKY)
Chemical Name	4-Bromo-N,N-dimethyl-3-(trifluoromethyl)aniline
IUPAC Name	4-bromo-N,N-dimethyl-3-(trifluoromethyl)aniline
InChI	InChI=1S/C9H9BrF3N/c1-14(2)6-3-4-8(10)7(5-6)9(11,12)13/h3-5H,1-2H3
InChI Key	DBSFECXQLNDZAX-UHFFFAOYSA-N
MDL Number	MFCD00219439
Molecular Formula	C9H9BrF3N
Molecular Weight	268.0737
SMILES	BrC1=CC=C(C=C1C(F)(F)F)N(C)C
Synonyms	4-bromo-N,N-dimethyl-3-(trifluoromethyl)aniline, 51332-24-2, AK-35413, AC1LELJC, C9H9BrF3N, SCHEMBL1536726, CTK4J4054, ZINC56858, DTXSID90350824, ANW-50121, MFCD00219439, AKOS015835301, DS-0541, FCH1322895, MP-0645, AJ-09456, CJ-00412, AB0025211, AX8095293, ST2418208, TC-061930, 4CH-015846, FT-0648029, W6630, [4-bromo-3-(trifluoromethyl)-phenyl]-dimethyl-amine, InChI=1/C9H9BrF3N/c1-14(2)6-3-4-8(10)7(5-6)9(11,12)13/h3-5H,1-2H, 4-Nitro-4'-chloro-diphenyl ether, CID688191, ZINC00056858, 1836-74-4,

Complexity	193
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	266.987g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	268.077g/mol
Monoisotopic Mass	266.987g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	3.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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