AG002FD7

191602-54-7 | Benzenamine, 3-bromo-4-(trifluoromethoxy)-

AG002FD7

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CAS Number	191602-54-7
Catalog Number	AG002FD7(AGN-PC-0KK7T7)
Chemical Name	Benzenamine, 3-bromo-4-(trifluoromethoxy)-
IUPAC Name	3-bromo-4-(trifluoromethoxy)aniline
InChI	InChI=1S/C7H5BrF3NO/c8-5-3-4(12)1-2-6(5)13-7(9,10)11/h1-3H,12H2
InChI Key	RAQMUBDHNKQNTD-UHFFFAOYSA-N
MDL Number	MFCD00190127
Molecular Formula	C7H5BrF3NO
Molecular Weight	256.0199
SMILES	BrC1=C(C=CC(=C1)N)OC(F)(F)F
Synonyms	3-bromo-4-(trifluoromethoxy)aniline, 191602-54-7, 3-bromo-4-trifluoromethoxyaniline, 3-bromo-4-(trifluoromethoxy)benzenamine, 4-amino-2-bromo(trifluoromethoxy)benzene, 3-Bromo-4-trifluoromethoxy-phenylamine, Benzenamine, 3-bromo-4-(trifluoromethoxy)-, 2-BROMO-4-AMINO-TRIFLUOROMETHOXYBENZENE, MFCD00190127, 1-Amino-3-bromo-4-(trifluoromethoxy)benzene, PubChem2925, AC1MC5JL, AC1Q51KK, KSC496C0P, SCHEMBL263489, Jsp003933, CTK3J6107, DTXSID40371347, RAQMUBDHNKQNTD-UHFFFAOYSA-N, 3-bromo-4-trifluoromethoxy aniline, 3-Bromo-4-trifluoromethoxy-aniline, 3Bromo-4-(trifluoromethoxy)aniline, ACT11446, EBD22103, ZINC2556420, ANW-23534, SBB101658, AKOS005064091, AC-3661, AN-6016, AS00308, LF10271, PS-7406, RP29122, RTC-050913, TRA0027276, 3-bromo-4-(trifluoromethoxy)phenylamine, KS-000009U7, 3-bromo-4-(trifluoromethoxy)aniline98%, 3-bromo-4-[(trifluoromethyl)oxy]aniline, 3-bromo-4-(trifluoromethoxy)aniline 98%, AJ-39893, AK-33895, BC002365, BR-33895, SC-47636, SY008062, AB0020416, DB-012988, DB-024318, TC-050913, A4226, AM20060301, B4190, FT-0643808, ST24032597, V1276, MFCD00190127 (97%), C-5139, 3-Bromo-4-(trifluoromethoxy)aniline, AldrichCPR, 602B547, I01-2326, J-511901, C7H5BrF3NO, 3-Fluoro-4-(trifluoromethoxy)aniline, ZINC02556420, ACN-050366, CID2736418, N/A,

Complexity	176
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	254.951g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	256.022g/mol
Monoisotopic Mass	254.951g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	35.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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