AG003IK6

349-58-6 | 3,5-Bis(trifluoromethyl)phenol

AG003IK6

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CAS Number	349-58-6
Catalog Number	AG003IK6(AGN-PC-0JL7YS)
Chemical Name	3,5-Bis(trifluoromethyl)phenol
EC Number	206-488-3
IUPAC Name	3,5-bis(trifluoromethyl)phenol
InChI	InChI=1S/C8H4F6O/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h1-3,15H
InChI Key	ODSXJQYJADZFJX-UHFFFAOYSA-N
MDL Number	MFCD00000386
Molecular Formula	C8H4F6O
Molecular Weight	230.1072
NSC Number	88299
SMILES	OC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1
Synonyms	3,5-Bis(trifluoromethyl)phenol, 349-58-6, Phenol, 3,5-bis(trifluoromethyl)-, 3,5-di(Trifluoromethyl)phenol, 3,5-bis-trifluoromethylphenol, MFCD00000386, 3,5-ditrifluoromethylphenol, 3,5-bis-(trifluoromethyl)phenol, alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-3,5-xylenol, ODSXJQYJADZFJX-UHFFFAOYSA-N, NSC88299, EINECS 206-488-3, PubChem12483, MBT-OH, ACMC-1CLSR, Enamine_005457, AI3-62905, AC1Q4JJE, AC1Q78II, NCIOpen2_005306, KSC497M4R, SCHEMBL186842, 3 5-bis(trifluoromethyl)phenol, Jsp006315, CHEMBL1797960, 3,5-bis(trifluoromethyl)-phenol, CTK3J7648, KS-00000FDV, ODSXJQYJADZFJX-UHFFFAOYSA-, TIMTEC-BB SBB006599, 3,5-Bis(trifluoromethyl) phenol, DTXSID60188454, HMS1409I01, ZINC164553, AC1L2835, ACT00786, ANW-28032, NSC-88299, SBB006599, AKOS001044515, 3,5-Bis(trifluoromethyl)phenol, 95%, AM61506, AS06952, CB-2750, MCULE-1749051801, PF10640, PS-7725, RTR-014437, TRA0068095, AJ-16208, AK-86402, AN-44450, CJ-02168, SC-75665, ZB008198, AB0011682, ST2404611, TR-014437, FT-0614469, ST45255437, EN300-17180, C-4531, I01-2544, W-106698, Z56899043, 3,5-Xylenol, aplha,aplha,aplha,aplha',aplha',aplha'-hexafluoro-, InChI=1/C8H4F6O/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h1-3,15H, 3,5-Bis phenol, C8H4F6O, C8-H4-F6-O, CID67680, AR-1E9466, ACN-055976, B1869, D1159, 3,5-Bis(trifluoromethyl)phenol, 97% - 1G 1g, 1066-26-8, 360-34-9,

Complexity	198
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	230.017g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	230.109g/mol
Monoisotopic Mass	230.017g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number