AG0082V3

106877-29-6 | 5-Methyl-2-(trifluoromethyl)aniline

AG0082V3

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CAS Number	106877-29-6
Catalog Number	AG0082V3(AGN-PC-02NCUF)
Chemical Name	5-Methyl-2-(trifluoromethyl)aniline
IUPAC Name	5-methyl-2-(trifluoromethyl)aniline
InChI	InChI=1S/C8H8F3N/c1-5-2-3-6(7(12)4-5)8(9,10)11/h2-4H,12H2,1H3
InChI Key	HYQKJEMNTMFLJA-UHFFFAOYSA-N
MDL Number	MFCD04972928
Molecular Formula	C8H8F3N
Molecular Weight	175.1510
SMILES	NC1=CC(C)=CC=C1C(F)(F)F
Synonyms	5-METHYL-2-(TRIFLUOROMETHYL)ANILINE, 106877-29-6, MFCD04972928, Benzenamine,5-methyl-2-(trifluoromethyl)-, Benzenamine, 5-methyl-2-(trifluoromethyl)-, ACMC-20mapx, SCHEMBL2748456, 2-amino-4-methylbenzotrifluoride, CTK4A4832, DTXSID30602990, WT366, ZINC2540374, 1476AA, AKOS016012171, AM62337, DS-6636, QC-7685, 5-methyl-2-(trifluoromethyl)benzenamine, KS-00000F76, AJ-39074, AK122430, SC-49129, DB-040715, FT-0642632, 5-methyl-2-(trifluoromethyl)aniline, AldrichCPR, C8H8F3N, ACN-055883,

Complexity	155
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	175.061g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	175.154g/mol
Monoisotopic Mass	175.061g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H317-H319
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2810

Certificate of Analysis

Lot Number