AG002MF9

23165-29-9 | Benzene, 1-isothiocyanato-3,5-bis(trifluoromethyl)-

AG002MF9

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CAS Number	23165-29-9
Catalog Number	AG002MF9(AGN-PC-0KK619)
Chemical Name	Benzene, 1-isothiocyanato-3,5-bis(trifluoromethyl)-
IUPAC Name	1-isothiocyanato-3,5-bis(trifluoromethyl)benzene
InChI	InChI=1S/C9H3F6NS/c10-8(11,12)5-1-6(9(13,14)15)3-7(2-5)16-4-17/h1-3H
InChI Key	FXOSSGVJGGNASE-UHFFFAOYSA-N
MDL Number	MFCD00040838
Molecular Formula	C9H3F6NS
Molecular Weight	271.1822
SMILES	FC(F)(F)c1cc(N=C=S)cc(c1)C(F)(F)F
Synonyms	23165-29-9, 3,5-Bis(trifluoromethyl)phenyl isothiocyanate, 1-isothiocyanato-3,5-bis(trifluoromethyl)benzene, 3,5-di(trifluoromethyl)phenyl isothiocyanate, Isothiocyanic Acid 3,5-Bis(trifluoromethyl)phenyl Ester, 3,5-bis(trifluoromethyl)phenylisothiocyanate, MFCD00040838, Benzene, 1-isothiocyanato-3,5-bis(trifluoromethyl)-, 3,5-bis-(trifluoromethyl)phenyl isothiocyanate, 1,3-Bis(trifluoromethyl)-5-isothiocyanatobenzene, 3,5-BIS-TRIFLUOROMETHYLPHENYL ISOTHIOCYANATE, 3,5-Bis(trifluoromethyl)phenyl isothiocyanate, 99+%, PubChem5019, AC1MBYSB, ACMC-209g1w, C9H3F6NS, KSC496K5L, SCHEMBL1019463, CTK3J6555, KS-00000WGT, DTXSID10369892, PC3115B, FXOSSGVJGGNASE-UHFFFAOYSA-N, ZINC164749, BCP06794, CS-B0726, ZX-AP003992, ANW-25074, CL8852, SBB068794, WT1900, AKOS015917516, AM82897, AN-6296, AS00368, AS04355, RD-0064, RTX-011282, VZ34899, 3,5-bistrifluoromethylphenylisothiocyanate, AJ-16273, AS-18794, CC-13381, SC-02688, SY025749, ZB008278, AB0030055, AB1011002, 3,5-bis(trifluoromethyl)benzenisothiocyanate, 3,5-Bis(trifuoromethyl)phenyl isothiocyanate, FT-0614477, I0569, ST24038062, TL80073708, X2243, 3,5-bis(trifluorornethyl)phenyl isothiocyanate, 3,5bis(trifluoromethyl)phenyl isothio-cyanate, MFCD00040838 (95%), A24260, K-6389, 1-isothiocyanato-3,5-bis-trifluoromethyl-benzene, C-17058, 3,5-Bis(trifluoromethyl)phenyl isothiocyanate, 98%, Benzene,1-isothiocyanato-3,5-bis(trifluoromethyl)-, J-511238, S01-0246, 23165-29-9 3,5-Bis(trifluoromethyl)phenyl isothiocyanate, ZINC00164749, CID2733395, C2964, 3,5-Bis(trifluoromethyl) phenyl isothiocyanate, 1,3-Di(trifluoromethyl)-5-isothiocyanatobenzene, 3,5-Bis(trifluoromethyl)phenyl isothiocyanate, 98% 1g, 3,5-Bis(trifluoromethyl)phenyl isothiocyanate, 99% - 1G 1g,

Complexity	294
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	270.989g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	271.18g/mol
Monoisotopic Mass	270.989g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	44.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P280-P301+P310+P330-P304+P340+P312-P305+P351+P338-P337+P313
Signal Words	danger
UN Code	UN 2206

Certificate of Analysis

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