IUPAC Name: ethyl-(4-methylphenyl)sulfonyloxymercury
Empirical Formula: C9H13HgO3S
Molecular Weight: 401.8527g/mol
H-Bond Donor: 0
H-Bond Acceptor: 3
Rotatable Bond Count: 3
Exact Mass: 402.021341
MonoIsotopic Mass: 402.021341
Topological Polar Surface Area: 43.4
Heavy Atom Count: 14
Formal Charge: 0
Complexity: 250
Canonical SMILES: CC[Hg]OS(=O)(=O)C1=CC=C(C=C1)C
InChI: InChI=1S/C7H8O3S.C2H5.Hg/c1-6-2-4-7(5-3-6)11(8,9)10;1-2;/h2-5H,1H3,(H,8,9,10);1H2,2H3;/q;;+1/p-1
InChIKey: ALFOXUAXXFZBMH-UHFFFAOYSA-M
Structure of Ethylmercury toluenesulfonate (CAS NO.2654-47-9):
1. | ipr-mus LD50:28 mg/kg | NHTIA7 Nordisk Hygienisk Tidskrift. Scandinavian Journal of Hygiene. 31 (1950),207. |
A poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of SOx and Hg.
ACGIH TLV: TWA 0.1 mg(Hg)/m3 (skin)
NIOSH REL: (MERCURY, ORGANO) TWA 0.01 mg/m3. STEL 0.03 mg/m3 (Sk)
Ethylmercury toluenesulfonate , its cas register number is 2654-47-9. It also can be called Mercury, ethyl(4-methylbenzenesulfonato)- ; Mercury, ethyl(toluenesulfonato)- .
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