AG00I3Q3

20018-09-1 | Benzene, 1-[(diiodomethyl)sulfonyl]-4-methyl-

AG00I3Q3

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CAS Number	20018-09-1
Catalog Number	AG00I3Q3(AGN-PC-0JL563)
Chemical Name	Benzene, 1-[(diiodomethyl)sulfonyl]-4-methyl-
EC Number	243-468-3
IUPAC Name	1-(diiodomethylsulfonyl)-4-methylbenzene
InChI	InChI=1S/C8H8I2O2S/c1-6-2-4-7(5-3-6)13(11,12)8(9)10/h2-5,8H,1H3
InChI Key	XOILGBPDXMVFIP-UHFFFAOYSA-N
MDL Number	MFCD00072720
Molecular Formula	C8H8I2O2S
Molecular Weight	422.0219
SMILES	CC1=CC=C(C=C1)S(=O)(=O)C(I)I
UNII	FDJ36QMI3H
Synonyms	1-(diiodomethyl)sulfonyl-4-methyl benzene, diiodomethyl p-tolyl sulfone, DIMPTS, 1-((Diiodomethyl)sulfonyl)-4-methylbenzene, 20018-09-1, Diiodomethyl p-tolyl sulfone, Amical 48, Caswell No. 353B, Tolyl diiodomethyl sulfone, UNII-FDJ36QMI3H, p-[(diiodomethyl)sulphonyl]toluene, 4-Methylphenyl diiodomethyl sulfone, EINECS 243-468-3, Benzene, 1-[(diiodomethyl)sulfonyl]-4-methyl-, FDJ36QMI3H, EPA Pesticide Chemical Code 101002, BRN 2212639, 1-(Diiodomethyl)sulfonyl-4-methyl benzene, p-((Diiodomethyl)sulphonyl)toluene, Diiodomethyl 4-methylphenyl sulfone, BENZENE, 1-((DIIODOMETHYL)SULFONYL)-4-METHYL-, 1-(diiodomethylsulfonyl)-4-methylbenzene, AK110956, 66456-97-1, C8H8I2O2S, HSDB 8033, AC1L1XOG, diiodomethyl-p-tolylsulphone, DSSTox_CID_12541, DSSTox_GSID_32541, SCHEMBL21818, CHEMBL1884140, DTXSID3032541, 4-(Diiodomethylsulfonyl)-toluene, KS-00000J2L, Tox21_303744, MFCD00072720, ZINC38141426, AKOS015890443, DS-5005, FCH1329756, ACM20018091, NCGC00163712-01, NCGC00356977-01, AN-17381, BC675282, LS-29847, 1-(diiodomethylsulfonyl)-4-methyl-benzene, AX8019199, CAS-20018-09-1, 1-((diiodomethyl)sulfonyl)-4-methyl-benzene, 4CH-009703, FT-0650296, ST24026806, Z4375, M-8159, 018T091, I01-6557, diiodomethyltolylsulfone, diiodomethyl-p-tolyl sulfone, Sulfone, diiodomethyl p-tolyl, C8-H8-I2-O2-S, CID62738, P- [(diiodomethyl)sulphonyl]toluene, 4-(DIIODOMETHYLSULFONYL)TOLUENE, 1-(Diiodomethyl)sulfonyl-4 methyl benzene,

Complexity	248
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	421.833g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	422.019g/mol
Monoisotopic Mass	421.833g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	42.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H332-H335
Precuationary statements	P280-P305+P351+P338-P310
Siginal words

Certificate of Analysis

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