AG0038DB

887144-97-0 | 1-Trifluoromethyl-3,3-dimethyl-1,2-benziodoxole

AG0038DB

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CAS Number	887144-97-0
Catalog Number	AG0038DB(AGN-PC-00S14J)
Chemical Name	1-Trifluoromethyl-3,3-dimethyl-1,2-benziodoxole
IUPAC Name	3,3-dimethyl-1-(trifluoromethyl)-1λ3,2-benziodoxole
InChI	InChI=1S/C10H10F3IO/c1-9(2)7-5-3-4-6-8(7)14(15-9)10(11,12)13/h3-6H,1-2H3
InChI Key	HVAPLSNCVYXFDQ-UHFFFAOYSA-N
MDL Number	MFCD10567056
Molecular Formula	C10H10F3IO
Molecular Weight	330.0855
SMILES	FC([I]1OC(c2c1cccc2)(C)C)(F)F
UNII	3OK0E02MT6
Synonyms	887144-97-0, 3,3-Dimethyl-1-(trifluoromethyl)-1,2-benziodoxole, 1-Trifluoromethyl-3,3-dimethyl-1,2-benziodoxole, Togni's Reagent, Togni Reagent, UNII-3OK0E02MT6, 1,3-Dihydro-3,3-dimethyl-1-(trifluoromethyl)-1,2-benziodoxole, 1,2-Benziodoxole, 3,3-dimethyl-1-(trifluoromethyl)-, 3OK0E02MT6, 3,3-Dimethyl-1-(trifluoromethyl)-1,2-benziodoxole, 95%, 3,3-dimethyl-1-(trifluoromethyl)-1,3-dihydro-1lambda3,2-benziodoxole, 3,3-Dimethyl-1-(trifluoromethyl)-1,3-dihydro-1lambda~3~,2-benziodoxole, Togni reagent I, Togni's reagents dimethyl compound [MI], ACMC-209qwp, G00066-Watson-Int, Synonyms: Togni's Reagent, Alcohol-CF3 Togni reagent, KSC497G2H, Molecular Weight: 330.08, C10H10F3IO, SCHEMBL1155516, SCHEMBL9935361, CTK3J7323, KS-00000VAE, DTXSID20581402, QCR-220, HVAPLSNCVYXFDQ-UHFFFAOYSA-N, Molecular Formula: C10H10F3IO, ANW-39143, BBL104069, MFCD10567056, STL557883, AKOS015853058, CAS Number: 887144-97-0, CS-7029, CS-W011964, RTR-027913, Alcohol CF3-reagent (Togni Reagent I), AC-26925, AK-77567, SC-48206, AB0009890, AB1010272, TR-027913, 4CH-011251, FT-0686315, ST24022449, M-7164, 144T970, 3,3-Dimethyl-1-(trifluoromethyl)-1,2-benzodioxole, 3,3-dimethyl-1-(trifluoromethyl)-1$l^{3,2-benziodoxole, 3,3-dimethyl-1-(trifluoromethyl)-1$l^{3},2-benziodaoxole, 3,3-Dimethyl-1-(trifluoromethyl)-1,2-benziodoxole, 98%, Name: 3,3-Dimethyl-1-(trifluoromethyl)-1,2-benziodoxole, Trifluoromethyl-1,3-dihydro-3,3-dimethyl-1,2-benziodoxole, 1-trifluoromethyl-1,3-dihydro-3,3-dimethyl-1,2-benziodoxole, 3,3-dimethyl-1-(trifluoromethyl)-1,3-dihydro-1l3-benzo[d][1,2]iodaoxole, 1,3-Dhydro-3,3-dimethyl-1-(trifluoromethyl)-1,2-benziodoxole; 3,3-Dmethyl-1-(trifluoromethyl)-1,2-benziodoxole, ACN-032387, T2624, 1-Trifluoromethyl-3,3-dimethyl-1,2-benziodoxole, 97% - 1G 1g,

Complexity	252
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	329.973g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	330.089g/mol
Monoisotopic Mass	329.973g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	9.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	4.1
Hazard statements	H228-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P210-P261
UN Code	UN 1325

Certificate of Analysis

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