AG0036A7

887144-94-7 | 1-(Trifluoromethyl)-1,2-benziodoxol-3(1H)-one

AG0036A7

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CAS Number	887144-94-7
Catalog Number	AG0036A7(AGN-PC-04SLGL)
Chemical Name	1-(Trifluoromethyl)-1,2-benziodoxol-3(1H)-one
IUPAC Name	1-(trifluoromethyl)-1λ3,2-benziodoxol-3-one
InChI	InChI=1S/C8H4F3IO2/c9-8(10,11)12-6-4-2-1-3-5(6)7(13)14-12/h1-4H
InChI Key	XHEOXSQMBWJOKP-UHFFFAOYSA-N
MDL Number	MFCD18800706
Molecular Formula	C8H4F3IO2
Molecular Weight	316.0158
SMILES	FC(I1OC(C2=C1C=CC=C2)=O)(F)F
UNII	DHY074A7WG
Synonyms	1-trifluoromethyl-1,2-benziodoxol-3(1H)-one, 887144-94-7, 1-(Trifluoromethyl)-1,2-benziodoxol-3(1H)-one, 1-Trifluoromethyl-1,2-benziodoxol-3(1H)-one, Togni Reagent II, 1-Trifluoromethyl-1,2-benziodoxol-3-(1H)-one, UNII-DHY074A7WG, DHY074A7WG, Togni II, 1,2-Benziodoxol-3(1H)-one, 1-(trifluoromethyl)-, Togni's reagents, carbonyl compound-, Togni's reagents carbonyl compound [MI], ACMC-209qwo, Acid-CF3 Togni reagent, G00065-Watson-Int, KSC912K7L, Molecular Weight: 316.02, SCHEMBL2360262, Molecular Formula: C8H4F3IO2, CTK8B2575, DTXSID10647708, XHEOXSQMBWJOKP-UHFFFAOYSA-N, BCP07144, ANW-39142, MFCD18800706, QC-741, Acid CF3-reagent (Togni Reagent II), AKOS015949461, CAS Number: 887144-94-7, CS-7028, CS-W001669, EBD2198598, RP09236, KS-0000058Q, BC638423, SC-51900, SY029811, 1-Trifluoromethyl-1,2-benzoiodoxole-3-one, ST2401744, TC-127887, 4CH-019703, FT-0685225, X8442, MFCD18800706 (95%), 1-(trifluoromethyl)-1,2-benziodoxol-3-(1H)-one, 10.14272/XHEOXSQMBWJOKP-UHFFFAOYSA-N.1, 1-(trifluoromethyl)-1$l^{3},2-benziodaoxol-3-one, 1-(trifluoromethyl)-3H-1??,2-benziodaoxol-3-one, 1-(Trifluoromethyl);-1,2-benziodoxol-3(1H);-one, doi:10.14272/XHEOXSQMBWJOKP-UHFFFAOYSA-N.1, J-505166, 1-(trifluoromethyl)-1lambda3,2-benziodoxol-3(1h)-one, Name: 1-(Trifluoromethyl)-1,2-benziodoxol-3(1H)-one, 1-(trifluoromethyl)-1l3-benzo[d][1,2]iodaoxol-3(1H)-one, 1-(Trifluoromethyl)-1lambda~3~,2-benziodoxol-3(1H)-one, 1-(trifluoromethyl)-1lambda3-benzo[d][1,2]iodaoxol-3(1H)-one, 1-TrifluoroMethyl-1,2-benziodoxol-3(1H)-one1-TrifluoroMethyl-1,2-benziodoxol-3(1H)-one, 1-Trifluoromethyl-1,2-benziodoxol-3-(1H)-one (contains 60% Diatomaceous earth), 1-Trifluoromethyl-1,2-benziodoxol-3-(1H)-one, 60 wt. %, contains 40 wt. % Celatom(R) FW-80 as additive, Togni's Reagent II, C8H4F3IO2, ACN-032388, T3014, 1-Trifluoromethyl-1,2-benziodoxol-3-(1H)-one, 98% - 1G 1g,

Complexity	254
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	315.921g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	316.018g/mol
Monoisotopic Mass	315.921g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	4.1
Hazard statements	H315-H319-H228
Packing Group	Ⅱ
Precautionary statements	P240-P210-P241-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313
Signal Words	danger
UN Code	UN 1325

Certificate of Analysis

Lot Number