AG000W2X

131395-17-0 | Benzenamine, 4-(2,2,2-trifluoroethyl)-

AG000W2X

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CAS Number	131395-17-0
Catalog Number	AG000W2X(AGN-PC-002PZL)
Chemical Name	Benzenamine, 4-(2,2,2-trifluoroethyl)-
IUPAC Name	4-(2,2,2-trifluoroethyl)aniline
InChI	InChI=1S/C8H8F3N/c9-8(10,11)5-6-1-3-7(12)4-2-6/h1-4H,5,12H2
InChI Key	DALKOEVEKVKJQX-UHFFFAOYSA-N
MDL Number	MFCD04972985
Molecular Formula	C8H8F3N
Molecular Weight	175.1510
SMILES	NC1=CC=C(CC(F)(F)F)C=C1
Synonyms	4-(2,2,2-Trifluoroethyl)aniline, 131395-17-0, Benzenamine, 4-(2,2,2-trifluoroethyl)-, SCHEMBL10570, CTK7B7104, KS-00000PQO, DTXSID30564544, DALKOEVEKVKJQX-UHFFFAOYSA-N, 4-(2,2,2-trifluorethyl)aniline, ZINC2540430, 4-(2,2,2-trifluoroethyl)-aniline, MFCD04972985, 4-(2,2,2-trifluoro-ethyl)-aniline, AKOS006295181, AB21252, DS-2922, MCULE-6103920896, NE31442, RL01465, 4-(2,2,2-trifluoro-ethyl)-phenylamine, AJ-39080, AK129530, SC-20590, TS-02415, ST2410951, 4CH-005741, CS-0060246, EN300-84640, J-513253, Z1258578384, 4- ANILINE,

Complexity	136
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	1
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-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number