AG0095XG

106877-31-0 | 3-methyl-4-trifluoromethylaniline

AG0095XG

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CAS Number	106877-31-0
Catalog Number	AG0095XG(AGN-PC-0NEJER)
Chemical Name	3-methyl-4-trifluoromethylaniline
IUPAC Name	3-methyl-4-(trifluoromethyl)aniline
InChI	InChI=1S/C8H8F3N/c1-5-4-6(12)2-3-7(5)8(9,10)11/h2-4H,12H2,1H3
InChI Key	YTMVUFIFISNHDB-UHFFFAOYSA-N
MDL Number	MFCD18399852
Molecular Formula	C8H8F3N
Molecular Weight	175.1510
SMILES	NC1=CC=C(C(F)(F)F)C(C)=C1
Synonyms	3-methyl-4-trifluoromethylaniline, MeTFMA, 3-methyl-4-(trifluoromethyl)aniline, 106877-31-0, SCHEMBL2059016, 3-methyl-4-trifluoromethylaniline, MFCD18399852, ZINC71790301, AKOS024261735, AS05397, CM11510, MCULE-2287495248, NE16322, AS-33025, AJ-118634, Benzenamine, 3-methyl-4-(trifluoromethyl)-, CS-0076423, EN300-91012, F9994-0628, Z1268153219, CID11019374,

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	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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