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Basic Information
CAS No.: 2597-95-7
Name: Methylmercury 2,3-dihydroxypropylmercaptide
Molecular Structure:
Molecular Structure of 2597-95-7 (Methylmercury 2,3-dihydroxypropylmercaptide)
Formula: C4H10 Hg O2 S
Molecular Weight: 322.79
Synonyms: 1,2-Propanediol,3-(methylmercurithio)- (6CI); Mercury, (3-mercapto-1,2-propanediolato)methyl-(8CI); Mercury, [(2,3-dihydroxypropyl)thio]methyl- (7CI); 1,2-Propanediol,3-mercapto-, mercury complex; Methylmercury 2,3-dihydroxypropylmercaptide
Density: g/cm3
Boiling Point: 247°Cat760mmHg
Flash Point: 126.3°C
Safety: Poison by intraperitoneal route. When heated to decomposition it emits very toxic fumes of Hg and SOx. See also MERCURY COMPOUNDS, INORGANIC; MERCURY COMPOUNDS, ORGANIC and SULFIDES.
PSA: 40.46000
LogP: -0.53220
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Chemistry

Molecule structure of Methylmercury propanediol-mercaptide (CAS NO.2597-95-7) :

IUPAC Name: 2,3-dihydroxypropylsulfanyl(methyl)mercury 
Molecular Weight: 322.776 g/mol
Molecular Formula: C4H10HgO2S 
Boiling Point: 247 °C at 760 mmHg
Flash Point: 126.3 °C
Enthalpy of Vaporization: 56.25 kJ/mol
Vapour Pressure: 0.00431 mmHg at 25 °C
H-Bond Donor: 2
H-Bond Acceptor: 2
Rotatable Bond Count: 4
Exact Mass: 324.010776
MonoIsotopic Mass: 324.010776
Topological Polar Surface Area: 40.5
Heavy Atom Count: 8
Complexity: 53.3
Canonical SMILES: C[Hg]SCC(CO)O
InChI: InChI=1S/C3H8O2S.CH3.Hg/c4-1-3(5)2-6;;/h3-6H,1-2H2;1H3;/q;;+1/p-1
InChIKey  of Methylmercury propanediol-mercaptide (CAS NO.2597-95-7) : SGPCGQHSTZVQMA-UHFFFAOYSA-M

Toxicity Data With Reference

1.    

ipr-mus LD50:47 mg/kg

     OCHRAI    Occupational Health Review. 15 (1963),5.

Consensus Reports

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

Safety Profile

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

Standards and Recommendations

OSHA PEL: TWA 0.01 mg(Hg)/m3; STEL 0.03 mg/m3 (skin)
ACGIH TLV: TWA 0.01 mg(Hg)/m3; 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, Organo) TWA 0.01 mg/m3; STEL 0.03 mg/m3 (skin)

Specification

 Methylmercury propanediol-mercaptide (CAS NO.2597-95-7) is also called Caswell No. 573C ; EPA Pesticide Chemical ; Code 051905 ; Methylmercury 2,3-dihydroxypropylmercaptide ; Mercury, ((dihydroxypropyl)thio)methyl- ; Mercury, (3-mercapto-1,2-propanediolato-S)methyl- .