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| CAS No.: | 5902-76-1 |
|---|---|
| Name: | methyl(pentachlorophenolato)mercury |
| Molecular Structure: | |
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| Formula: | C7H3Cl5HgO |
| Molecular Weight: | 480.955 |
| Synonyms: | Methylquecksilberpentachlorphenolat;EINECS 227-596-7;Stauffer MV242;Methylmercury pentachlorophenate;Methylmerkuripentachlorfenolat; |
| Melting Point: | 189.5 °C (decomp) |
| Boiling Point: | 309.5°C at 760 mmHg |
| Flash Point: | 133.7°C |
| Safety: | Poison by ingestion. A skin and severe eye irritant. When heated to decomposition it emits very toxic fumes of Cl− and Hg. See also CHLORINATED HYDROCARBONS, AROMATIC and MERCURY COMPOUNDS, INORGANIC; MERCURY COMPOUNDS, ORGANIC. |
| PSA: | 23.06000 |
| LogP: | 5.73100 |
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Chemistry
Molecule structure of Methylmercury pentachlorophenate (CAS NO.5902-76-1):
IUPAC Name: Methyl-(2,3,4,5,6-pentachlorophenoxy)mercury
Molecular Weight: 480.95312 g/mol
Molecular Formula: C7H3Cl5HgO
H-Bond Acceptor: 1
Rotatable Bond Count: 2
Exact Mass: 481.830329
MonoIsotopic Mass: 479.833279
Topological Polar Surface Area: 9.2
Heavy Atom Count: 14
Complexity: 179
Canonical SMILES: C[Hg]OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl
InChI: InChI=1S/C6HCl5O.CH3.Hg/c7-1-2(8)4(10)6(12)5(11)3(1)9;;/h12H;1H3;/q;;+1/p-1
InChIKey: QFSGULCPPNDNPU-UHFFFAOYSA-M
EINECS of Methylmercury pentachlorophenate (CAS NO.5902-76-1): 227-596-7
Toxicity Data With Reference
| 1. | skn-rbt 500 mg/24H MLD | 28ZPAK Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,223. | ||
| 2. | eye-rbt 50 µg/24H SEV | 28ZPAK Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,223. | ||
| 3. | orl-rat LD50:56 mg/kg | 28ZEAL Pesticide Index. 4 (1969),283. |
Consensus Reports
Mercury and its compounds are on the Community Right-To-Know List.
Safety Profile
Poison by ingestion. A skin and severe eye irritant. When heated to decomposition it emits very toxic fumes of Cl− and Hg. See also CHLORINATED HYDROCARBONS, AROMATIC and MERCURY COMPOUNDS, INORGANIC; MERCURY COMPOUNDS, ORGANIC.
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, Aryl and Inorganic) CL 0.1 mg/m3 (skin)
Specification
Methylmercury pentachlorophenate (CAS NO.5902-76-1) is also named as BRN 3975229 ; Methylmerkuripentachlorfenolat ; Methylmerkuripentachlorfenolat [Czech] ; Stauffer MV242 ; Mercury, methylpentachlorophenolato)- (9CI) ; Mercury, methyl(pentachlorophenoxy)- ; Methyl(pentachlorophenolato)mercury .