AG001P55

157021-61-9 | Benzonitrile, 2,6-dichloro-4-(trifluoromethyl)-

AG001P55

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CAS Number	157021-61-9
Catalog Number	AG001P55(AGN-PC-0KK84J)
Chemical Name	Benzonitrile, 2,6-dichloro-4-(trifluoromethyl)-
IUPAC Name	2,6-dichloro-4-(trifluoromethyl)benzonitrile
InChI	InChI=1S/C8H2Cl2F3N/c9-6-1-4(8(11,12)13)2-7(10)5(6)3-14/h1-2H
InChI Key	NCXSSFQXQAOREM-UHFFFAOYSA-N
MDL Number	MFCD00220879
Molecular Formula	C8H2Cl2F3N
Molecular Weight	240.0094
SMILES	N#CC1=C(Cl)C=C(C(F)(F)F)C=C1Cl
Synonyms	2,6-dichloro-4-(trifluoromethyl)benzonitrile, 157021-61-9, 4-Cyano-3,5-dichlorobenzotrifluoride, Benzonitrile,2,6-dichloro-4-(trifluoromethyl)-, 2,6-Dichloro-4-(trifluoromethyl)benzonitrile 97%, 2,6-DICHLORO-4-(TRIFLUOROMETHYL)BENZONITRIL, 2,6-dichloro-4-(trifluoromethyl)benzenecarbonitrile, AC1MC6FR, buttpark 14550-33, Intermediates-ZCF02189, C8H2Cl2F3N, SCHEMBL4741271, CTK4C9243, NCXSSFQXQAOREM-UHFFFAOYSA-, DTXSID80371664, PC2554E, NCXSSFQXQAOREM-UHFFFAOYSA-N, ZINC165139, BUTTPARK 145\50-33, ZX-AP011738, ANW-47640, BBL101945, MFCD00220879, SBB099186, STL555742, AKOS015850361, AC-9360, AN-7095, AS05832, CM13035, FCH1322714, MCULE-2151069021, VZ22868, AJ-16358, AS-31410, BR-49434, CC-07992, EN002279, SC-58365, ZB008429, AB0030563, AX8005543, DB-015411, ST2415906, TR-006589, FT-0610576, ST51041453, X2768, S-4324, 2,6-dichloro-4-(trifluoromethyl)benzonitrile97%, A809795, Benzonitrile, 2,6-dichloro-4-(trifluoromethyl)-, C-14337, I01-8101, 2 pound not6-dichlloro-4-(trifluoromethyl)benzonitrile, 4-Cyano-3,5-dichloro-alpha,alpha,alpha-trifluorotoluene, 2,6-bis(chloranyl)-4-(trifluoromethyl)benzenecarbonitrile, InChI=1/C8H2Cl2F3N/c9-6-1-4(8(11,12)13)2-7(10)5(6)3-14/h1-2H, 4-cyano-3,5-dichlorobenzotrifluoride, 4-cyano-3,5-dichloro-alpha,alpha,alpha-trifluorotoluene, ZINC00165139, CID2736870,

Complexity	245
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	238.952g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	240.006g/mol
Monoisotopic Mass	238.952g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H311-H330
Packing Group	Ⅲ
Precautionary statements	P260-P264-P270-P271-P280-P284-P301+P310-P302+P352-P304+P340-P310-P312-P320-P321-P322-P330-P361-P363-P403+P233-P405-P501
UN Code	UN 3276

Certificate of Analysis

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