AG001PJ2

157590-59-5 | 2-Chloro-4,5-diaminobenzotrifluoride

AG001PJ2

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CAS Number	157590-59-5
Catalog Number	AG001PJ2(AGN-PC-0KKVH7)
Chemical Name	2-Chloro-4,5-diaminobenzotrifluoride
IUPAC Name	4-chloro-5-(trifluoromethyl)benzene-1,2-diamine
InChI	InChI=1S/C7H6ClF3N2/c8-4-2-6(13)5(12)1-3(4)7(9,10)11/h1-2H,12-13H2
InChI Key	BUSGYQISMPLVIJ-UHFFFAOYSA-N
MDL Number	MFCD00119550
Molecular Formula	C7H6ClF3N2
Molecular Weight	210.5841
SMILES	NC1=CC(C(F)(F)F)=C(Cl)C=C1N
Synonyms	157590-59-5, 4-chloro-5-(trifluoromethyl)benzene-1,2-diamine, 2-Amino-4-chloro-5-(trifluoromethyl)aniline, 4-Chloro-5-trifluoromethyl-o-phenylenediamine, 2-Amino-4-chloro-5-(trifluoromethyl)phenylamine, 1,2-Benzenediamine, 4-chloro-5-(trifluoromethyl)-, 2-Chloro-4,5-diaminobenzotrifluoride, MFCD00119550, AK-39991, 5-chloro-4-(trifluoromethyl)benzene-1,2-diamine, 4-Chloro-5-Trifluoromethyl-O-Phenylenediamine, 95%, AC1MCN1K, SCHEMBL440693, CTK4C9406, DTXSID00378498, BUSGYQISMPLVIJ-UHFFFAOYSA-N, aminochlorotrifluoromethylphenylamine, KS-000009UR, ZINC2577655, ZX-AP002597, ANW-49598, PC5164, SBB094398, 3,4-diamino-6-chlorobenzotrifluoride, AKOS005073257, CS-W002384, FCH1319741, KD-0756, MCULE-3836191509, RP12251, RTR-035821, TRA0067943, AJ-42673, CJ-10130, SC-38248, SY012281, AB0022538, AX8169915, ST2411310, TR-035821, 4CH-009333, AM20061029, FT-0681312, W3421, 1,2-diamino-4-chloro-5-trifluoromethylbenzene, M-9417, MFCD00119550 (97+%), 4-(Trifluoromethyl)-5-chlorobenzene-1,2-diamine, A809853, 4-chloranyl-5-(trifluoromethyl)benzene-1,2-diamine, I05-2311, J-515039, C7H6ClF3N2, ZINC02577655, 2-Chloro-4,5-diamino benzotrifluoride, CID2773497,

Complexity	185
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	210.017g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	210.584g/mol
Monoisotopic Mass	210.017g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	52A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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