AG003MQH

827-20-3 | 5-Fluoro-2-(trifluoromethyl)aniline

AG003MQH

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CAS Number	827-20-3
Catalog Number	AG003MQH(AGN-PC-0UMYNC)
Chemical Name	5-Fluoro-2-(trifluoromethyl)aniline
IUPAC Name	5-fluoro-2-(trifluoromethyl)aniline
InChI	InChI=1S/C7H5F4N/c8-4-1-2-5(6(12)3-4)7(9,10)11/h1-3H,12H2
InChI Key	LBSBTIMHMYAFFS-UHFFFAOYSA-N
MDL Number	MFCD06660353
Molecular Formula	C7H5F4N
Molecular Weight	179.1149
SMILES	NC1=C(C=CC(F)=C1)C(F)(F)F
Synonyms	5-Fluoro-2-(trifluoromethyl)aniline, 827-20-3, 2-Amino-4-fluorobenzotrifluoride, 5-Fluoro-2-trifluoromethylaniline, Benzenamine, 5-fluoro-2-(trifluoromethyl)-, MFCD06660353, AK-36479, PubChem1544, SCHEMBL186087, CTK8E5231, DTXSID50590709, ACT11502, JRD-2005, KS-00000F4R, ZX-AP008887, FCH920241, PC2986, SBB089510, ZINC12359261, AKOS005064060, AC-9659, AM62109, AS04098, CM11492, TRA0038317, VZ30309, 5-fluoro-2-(trifluoromethyl)phenylamine, AC-16608, AJ-61434, CC-21737, DS-12956, SC-06879, AB0030700, AX8010370, DB-056652, TL8005460, TR-025841, FT-0633001, ST24044725, X2914, A19768, 5-Fluoro-2-(trifluoromethyl)aniline, AldrichCPR, C-06500, I01-4967, C7H5F4N, 4-Fluoro-2-(trifluoromethyl)aniline, 393-39-5,

Complexity	156
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.036g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	179.118g/mol
Monoisotopic Mass	179.036g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H312-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P262-P280-P301+P310-P304+P340-P305+P351+P338-P310
Signal Words	warning
UN Code	UN 2811

Certificate of Analysis

Lot Number