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64046-01-1

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Basic Information
CAS No.: 64046-01-1
Name: disodium bis({[4-(carboxylatomethyl)piperazin-1-yl]sulfanyl}carbothioyl)mercury
Molecular Structure:
Molecular Structure of 64046-01-1 (disodium bis({[4-(carboxylatomethyl)piperazin-1-yl]sulfanyl}carbothioyl)mercury)
Formula: C14H20 Hg N4 O4 S4 . 2 Na
Molecular Weight: 683.19
Synonyms: 1-Piperazineaceticacid, 4-(dithiocarboxy)-, mercury complex
Density: g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: Poison by intravenous route. When heated to decomposition it emits very toxic fumes of SOx, NOx, Hg, and Na2O. See also MERCURY COMPOUNDS, INORGANIC; MERCURY COMPOUNDS, ORGANIC and CARBAMATES.
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Chemistry

Molecule structure of Sodium salt of mercury dithiocarb-amate piperazine acetic (CAS NO.64046-01-1) :

IUPAC Name: disodium bis[[4-(2-oxido-2-oxoethyl)piperazin-1-yl]sulfanylcarbothioyl]mercury 
Molecular Weight: 683.16254 g/mol
Molecular Formula: C14H20HgN4Na2O4S4
H-Bond Acceptor: 8
Rotatable Bond Count: 6
Exact Mass: 683.986903
MonoIsotopic Mass: 683.986903
Topological Polar Surface Area: 93.2
Heavy Atom Count: 29 
Complexity: 510
Canonical SMILES: C1CN(CCN1CC(=O)[O-])SC(=S)[Hg]C(=S)SN2CCN(CC2)CC(=O)[O-].[Na+].[Na+]
InChI: InChI=1S/2C7H11N2O2S2.Hg.2Na/c2*10-7(11)5-8-1-3-9(4-2-8)13-6-12;;;/h2*1-5H2,(H,10,11);;;/q;;;2*+1/p-2 InChIKey of Sodium salt of mercury dithiocarb-amate piperazine acetic (CAS NO.64046-01-1) : CLIRMVOIJHKNLJ-UHFFFAOYSA-L

Toxicity Data With Reference

1.    

ivn-rbt LDLo:7500 µg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 41 (1931),21.

Consensus Reports

Mercury and its compounds are on the Community Right-To-Know List.

Safety Profile

Poison by intravenous route. When heated to decomposition it emits very toxic fumes of SOx, NOx, Hg, and Na2O. See also MERCURY COMPOUNDS, INORGANIC; MERCURY COMPOUNDS, ORGANIC and CARBAMATES.

Standards and Recommendations

OSHA PEL: CL 0.1 mg(Hg)/m3 (skin)
ACGIH TLV: TWA 0.1 mg(Hg)/m3 (skin); BEI: 35 µg/g creatinine total inorganic mercury in urine preshift; 15 µg/g creatinine total inorganic mercury in blood at end of shift at end of workweek.
DFG MAK: Confirmed Animal Carcinogen with Unknown Relevance to Humans
NIOSH REL: (Mercury, Aryl and Inorganic) CL 0.1 mg/m3 (skin)

Specification

 Sodium salt of mercury dithiocarb-amate piperazine acetic (CAS NO.64046-01-1) is also called Mercury(2-), bis(4-(dithiocarboxy)-1-piperazineacetato(2-))-, disodium .