AG0033KQ

62476-58-8 | 2-Chloro-3-(trifluoromethyl)benzenamine

AG0033KQ

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CAS Number	62476-58-8
Catalog Number	AG0033KQ(AGN-PC-0LKL25)
Chemical Name	2-Chloro-3-(trifluoromethyl)benzenamine
IUPAC Name	2-chloro-3-(trifluoromethyl)aniline
InChI	InChI=1S/C7H5ClF3N/c8-6-4(7(9,10)11)2-1-3-5(6)12/h1-3H,12H2
InChI Key	WLXOMMTWPMQFDE-UHFFFAOYSA-N
MDL Number	MFCD04115988
Molecular Formula	C7H5ClF3N
Molecular Weight	195.5695
SMILES	ClC1=C(C=CC=C1C(F)(F)F)N
Synonyms	2-chloro-3-(trifluoromethyl)aniline, 62476-58-8, 3-Amino-2-chlorobenzotrifluoride, 2-chloro-3-(trifluoromethyl)benzenamine, MFCD04115988, (2-Chloro-3-trifluoromethylphenyl)amine, AK-64466, Benzenamine, 2-chloro-3-(trifluoromethyl)-, AC1NLL4J, SCHEMBL3289893, CTK7D9302, DTXSID10407243, WLXOMMTWPMQFDE-UHFFFAOYSA-N, BCP11239, JRD-1537, ZINC2528371, SBB091924, 2-chloro-3-trifluoromethyl-phenylamine, AKOS015956696, AS06948, FCH1121545, 2-chloro-3-(trifluoromethyl)phenylamine, KS-000000K5, AJ-38267, DS-15578, PC303026, SY032035, AX8212568, 4CH-022252, FT-0735757, ST24040283, MFCD04115988 (97%), I01-21659, ACN-038379, CID4984136, 3-Amino-2-chlorobenzotrifluoride - 5G 5g,

Complexity	159
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.006g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	195.569g/mol
Monoisotopic Mass	195.006g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number