AG003IKP

368-53-6 | 5-(Trifluoromethyl)benzene-1,3-diamine

AG003IKP

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CAS Number	368-53-6
Catalog Number	AG003IKP(AGN-PC-0WA7S7)
Chemical Name	5-(Trifluoromethyl)benzene-1,3-diamine
EC Number	206-708-8
IUPAC Name	5-(trifluoromethyl)benzene-1,3-diamine
InChI	InChI=1S/C7H7F3N2/c8-7(9,10)4-1-5(11)3-6(12)2-4/h1-3H,11-12H2
InChI Key	KZSXRDLXTFEHJM-UHFFFAOYSA-N
MDL Number	MFCD00014776
Molecular Formula	C7H7F3N2
Molecular Weight	176.1391
SMILES	NC1=CC(=CC(N)=C1)C(F)(F)F
UNII	Z89RD529KK
Synonyms	3,5-Diaminobenzotrifluoride, 368-53-6, 5-(Trifluoromethyl)benzene-1,3-diamine, 5-(Trifluoromethyl)-1,3-phenylenediamine, 5-(Trifluoromethyl)-1,3-benzenediamine, 3,5-Benzotrifluorodiamine, UNII-Z89RD529KK, BRN 2966748, EINECS 206-708-8, MFCD00014776, 1,3-Benzeneamine, 5-[(trifluoromethyl)-, 1,3-Benzenediamine, 5-(trifluoromethyl)-, 5-TRIFLUOROMETHYL-M-PHENYLENEDIAMINE, Z89RD529KK, alpha,alpha,alpha-Trifluorotoluene-3,5-diamine, 5-trifluoromethyl-benzene-1,3-diamine, 1,3-Benzeneamine, 5-((trifluoromethyl)-, PubChem15189, 35DBTF, AC1L28BE, 3, 5-Diaminobenzotrifluoride, 4-13-00-00264 (Beilstein Handbook Reference), KSC490O0L, SCHEMBL394717, DTXSID4073170, CTK3J0705, KZSXRDLXTFEHJM-UHFFFAOYSA-N, ZINC283668, KS-000010AH, ZX-AP003351, ACM368536, ANW-74460, FCH931303, PC2170, SBB089142, 1-trifluoromethyl-3,5-diaminobenzene, 5-Trifluoromethyl-1,3-benzenediamine, AKOS002663569, 5-trifluoromethyl-1,3-phenylenediamine, AF10077, AM62321, AS04744, CM13236, CM13237, HCH0020835, MCULE-5827859561, PS-8583, RL03406, RTC-010866, TRA0001527, VZ25685, 3-(trifluoromethyl)-1,5-phenylenediamine, 5-TRIFLUOROMETHYL-MPHENYLENEDIAMINE, AC-17469, AJ-18848, AK-53837, AN-44576, CC-13409, LS-29635, R402, SC-76298, ZB010159, AX8010509, TC-010866, TL8002720, A6341, A6343, FT-0614491, FT-0654622, ST24032885, ST50407386, T3239, 5-TRIFLUOROMETHYL-1,3-PHENYLENEDIAMIDE, 5-(Trifluoromethyl)-1,3-phenylenediamine, 98%, C-06101, Toluene-3,5-diamine, alpha,alpha,alpha-trifluoro-, I01-6152, J-511244, Toluene-3,5-diamine, alpha,alpha,alpha-trifluoro- (8CI), 2-Trifluoromethyl-pyridine, 2-(Trifluoromethyl)pyridine, C7H7F3N2, C7-H7-F3-N2, CID67781, 2,3-Dibromo-5-fluorobenzontrifluoride, ACN-050636, 368-48-9,

Complexity	147
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	176.056g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	176.142g/mol
Monoisotopic Mass	176.056g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	52A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H318
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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