AG001PJ1

157590-60-8 | 1,2-Benzenediamine, 4-bromo-5-(trifluoromethyl)-

AG001PJ1

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CAS Number	157590-60-8
Catalog Number	AG001PJ1(AGN-PC-0N67C0)
Chemical Name	1,2-Benzenediamine, 4-bromo-5-(trifluoromethyl)-
IUPAC Name	4-bromo-5-(trifluoromethyl)benzene-1,2-diamine
InChI	InChI=1S/C7H6BrF3N2/c8-4-2-6(13)5(12)1-3(4)7(9,10)11/h1-2H,12-13H2
InChI Key	AKIMDXKCJKECRS-UHFFFAOYSA-N
MDL Number	MFCD09263998
Molecular Formula	C7H6BrF3N2
Molecular Weight	255.0351
SMILES	NC1=C(N)C=C(C(Br)=C1)C(F)(F)F
Synonyms	157590-60-8, 4-bromo-5-(trifluoromethyl)benzene-1,2-diamine, 2-amino-4-bromo-5-(trifluoromethyl)phenylamine, 1,2-Benzenediamine, 4-bromo-5-(trifluoromethyl)-, 4-Bromo-5-trifluoromethyl-benzene-1,2-diamine, SCHEMBL848016, CTK0B0468, DTXSID60441495, AKIMDXKCJKECRS-UHFFFAOYSA-N, aminobromotrifluoromethylphenylamine, KS-000027OL, ANW-54981, MFCD09263998, SBB101534, ZINC38999836, AKOS005073501, AB50366, FCH1392038, MCULE-8150326312, MD-0073, RP14473, AJ-97324, PC501059, AX8206319, TR-035822, CS-0087936, FT-0681708, 1-Bromo-4,5-diamino-2-(trifluoromethyl)benzene, 4-Bromo-5-(trifluoromethyl)-1,2-benzenediamine, 5-bromo-4-(trifluoromethyl)benzene-1,2-diamine, I05-2310, J-514760, CID10538921,

Complexity	185
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	253.967g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	255.038g/mol
Monoisotopic Mass	253.967g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	52A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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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