AG003J16

113170-72-2 | 3-bromo-5-(trifluoromethyl)benzene-1,2-diamine

AG003J16

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CAS Number	113170-72-2
Catalog Number	AG003J16(AGN-PC-0JVO1W)
Chemical Name	3-bromo-5-(trifluoromethyl)benzene-1,2-diamine
IUPAC Name	3-bromo-5-(trifluoromethyl)benzene-1,2-diamine
InChI	InChI=1S/C7H6BrF3N2/c8-4-1-3(7(9,10)11)2-5(12)6(4)13/h1-2H,12-13H2
InChI Key	OVGAPUVMLZWQQF-UHFFFAOYSA-N
MDL Number	MFCD00042484
Molecular Formula	C7H6BrF3N2
Molecular Weight	255.0351
SMILES	NC1=CC(C(F)(F)F)=CC(Br)=C1N
Synonyms	113170-72-2, 3-bromo-5-(trifluoromethyl)benzene-1,2-diamine, 3-Bromo-4,5-diaminobenzotrifluoride, MFCD00042484, BUTTPARK 82\03-57, 1,2-diamino-3-bromo-5-(trifluoromethyl)benzene, 3-Bromo-5-(trifluoromethyl)-1,2-phenylenediamine, 2-AMINO-3-BROMO-5-(TRIFLUOROMETHYL)PHENYLAMINE, 3-BROMO-5-(TRIFLUOROMETHYL)-1,2-BENZENEDIAMINE, AK-79097, 4,5-DIAMINO-3-BROMOBENZOTRIFLUORIDE, 3-Bromo-5-trifluoromethyl-1,2-phenylenediamine, W-204807, PubChem2253, AC1LEGNH, SCHEMBL414157, PC1374MP, CTK7D5659, KS-00000LHB, DTXSID50352829, OVGAPUVMLZWQQF-UHFFFAOYSA-N, ZINC152846, ZX-AP004694, ANW-45251, SBB101532, AKOS015890356, AS05911, CM13199, CS-W005049, FCH1321596, HCH0021236, PS-7411, RP06216, RTR-002521, VZ26419, AJ-12828, AN-33340, BC002262, BP-10357, CC-14397, SC-45887, ZB005270, 3-Bromo-4,5-diaminobenzotrifluoride, 97%, AX8004509, ST2404951, TR-002521, 3 - Bromo - 4,5 - diaminobenzotrifluoride, FT-0615146, ST50307892, X9043, 1,2-diamino-3-bromo-5-trifluoromethylbenzene, 3-bromo-5-trifluoromethyl-1,2-benzenediamine, 1,2-Diamino-3-bromo-5-trifluoromethyl benzene, 3-Bromo-5-trifluoromethyl-benzene-1,2-diamine, K-0989, 1-Bromo-2,3-diamino-5-(trifluoromethyl)benzene, A803025, C-15811, 1,2-Benzenediamine, 3-bromo-5-(trifluoromethyl)-, 3-bromanyl-5-(trifluoromethyl)benzene-1,2-diamine, I01-5798, UFV, C7H6BrF3N2, CID735785, ZINC00152846, D1189, 3-Bromo-4,5-diaminobenzotrifluoride, 97% - 1G 1g,

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	\N

Certificate of Analysis

Lot Number