AG001WET

16588-74-2 | 3,5-Di(trifluoromethyl)phenyl isocyanate

AG001WET

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CAS Number	16588-74-2
Catalog Number	AG001WET(AGN-PC-0KK5ZO)
Chemical Name	3,5-Di(trifluoromethyl)phenyl isocyanate
IUPAC Name	1-isocyanato-3,5-bis(trifluoromethyl)benzene
InChI	InChI=1S/C9H3F6NO/c10-8(11,12)5-1-6(9(13,14)15)3-7(2-5)16-4-17/h1-3H
InChI Key	NRSSOFNMWSJECS-UHFFFAOYSA-N
MDL Number	MFCD00013559
Molecular Formula	C9H3F6NO
Molecular Weight	255.1166
SMILES	FC(C=1C=C(C=C(C1)C(F)(F)F)N=C=O)(F)F
Synonyms	16588-74-2, 3,5-Bis(trifluoromethyl)phenylisocyanate, 3,5-Bis(trifluoromethyl)phenyl isocyanate, 1-isocyanato-3,5-bis(trifluoromethyl)benzene, 3,5-Bis(trifluoromethyl)isocyanate, MFCD00013559, 3,5-di(trifluoromethyl)phenyl isocyanate, GEO-00369, 3,5-DI(TRIFLUOROMETHYL)PHENYLISOCYANATE, 3,5-Bis(trifluoromethyl)phenyl isocyanate, 98%, 3,5-bis(trifluoromethyl)benzenisocyanate, PubChem2735, AC1MBYLM, ACMC-209dtj, AC1Q4IRJ, SCHEMBL419151, Isocyanic Acid 3,5-Bis(trifluoromethyl)phenyl Ester, CTK0H8992, DTXSID00369841, PC3115A, NRSSOFNMWSJECS-UHFFFAOYSA-N, ZINC2560390, ZX-AP012014, 3,5-bistrifluorometylphenylisocyanate, ANW-22181, BBL101942, CL8851, SBB064779, STL555739, AKOS015890327, AS04325, LS10404, MCULE-8864249429, RP29090, AS-46123, CC-13380, SC-01558, SY011486, 3,5- bis(trifluoromethyl)phenyl isocyanate, 3,5-bis-(trifluoromethyl)phenyl isocyanate, DB-043635, RT-003081, 3,5-di(trifluoromethyl)-1-isocyanatobenzene, FT-0614470, I0766, ST50826853, 1-Isocyanato-3,5-bis-trifluoromethyl-benzene, MFCD00013559 (97%), A18281, S-8005, Benzene, 1-isocyanato-3,5-bis(trifluoromethyl)-, C-15817, I01-5814, J-511240, 1-Isocyanato-3,5-bis(trifluoromethyl)benzene, inverted exclamation markY 98.0%, ZINC02560390, CID2733314, 3,5-Bis(trifluoromethyl)phenyl isocyanate, 98% - 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	255.012g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	255.119g/mol
Monoisotopic Mass	255.012g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	29.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H227-H301+H331-H331-H334-H302-H312-H315-H319-H332-H335
Precuationary statements	P210-P264-P270-P271-P301+P310+P330-P302+P352+P332+P313+P362+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501-P260-P280h-P309-P310-P261-P280-P305+P351+P338
Siginal words

Certificate of Analysis

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