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| CAS No.: | 53663-14-2 |
|---|---|
| Name: | 7-Nitro-1-mercura-2-oxaindan-3-one |
| Molecular Structure: | |
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| Formula: | C7H3HgNO4 |
| Molecular Weight: | 365.695 |
| Synonyms: | 7-Nitro-3H-2,1-benzoxamercurol-3-one;Benzoic acid, 2-hydroxymercuri-3-nitro-, 1,2-cyclic anhydride;3H-2,1-Benzoxamercurol-3-one, 7-nitro-;(2-carboxy-6-nitro-phenyl)mercury;Benzoic acid, 2-hydroxymercuri-3-nitro, .gamma.-lactone;3H-2, 1-Benzoxamercurol-3-one, 7-nitro-;2-HYDROXYMERCURI-3-NITROBENZOIC ACID-1,2-CYCLIC ANHYDRIDE;Benzoic acid, 2-hydroxymercuri-3-nitro, gamma-lactone;Mercury, (3-nitrobenzoato(2-)-C2,O1)- (9CI);Mercury, [3-nitrobenzoato (2-)-C2,O1]-;3H-2,1-BENZOXAMERCUROLE, 7-NITRO-3-OXO-; |
| Melting Point: | >340 °C |
| Safety: | Poison by intravenous and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of Hg and NOx. See also NITRO COMPOUNDS and MERCURY COMPOUNDS, INORGANIC; MERCURY COMPOUNDS, ORGANIC. |
| PSA: | 72.12000 |
| LogP: | 0.91120 |
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Chemistry
Molecular Structure of 7-Nitro-3-oxo-3H-2,1-benzoxamercurole (CAS NO.53663-14-2):
IUPAC: 7-Nitro-2,1-benzoxamercurol-3-one
Molecular Formula: C7H3HgNO4
Molecular Weight: 365.693
H bond acceptors: 5
SMILES: c1cc2c(c(c1)[N+](=O)[O-])[Hg]OC2=O
InChI: InChI=1/C7H4NO4.Hg/c9-7(10)5-2-1-3-6(4-5)8(11)12;/h1-3H,(H,9,10);/q;+1/p-1/rC7H3HgNO4/c10-7-4-2-1-3-5(9(11)12)6(4)8-13-7/h1-3H
InChIKey: INGXLJQQXNHGNG-QOCBFLKLAR
Toxicity Data With Reference
| 1. | ipr-mus LDLo:31,300 µg/kg | CBCCT* “Summary Tables of Biological Tests“ National Research Council Chemical-Biological Coordination Center. 5 (1953),284. | ||
| 2. | ivn-mus LD50:56 mg/kg | CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#05674 . |
Consensus Reports
Mercury and its compounds are on the Community Right-To-Know List.
Safety Profile
Poison by intravenous and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of Hg and NOx. See also NITRO COMPOUNDS and MERCURY COMPOUNDS, INORGANIC; MERCURY COMPOUNDS, ORGANIC.
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
7-Nitro-3-oxo-3H-2,1-benzoxamercurole with cas registry number of 53663-14-2 is also known as 3H-2,1-Benzoxamercurol-3-one, 7-nitro- ; 3H-2,1-Benzoxamercurole, 7-nitro-3-oxo- ; 7-Nitro-3-oxo-3H-2,1-benzoxamercurole ; 7-Nitro-3H-2,1-benzoxamercurol-3-one ; Benzoic acid, 2-hydroxymercuri-3-nitro, gamma-lactone ; Benzoic acid, 2-hydroxymercuri-3-nitro-, 1,2-cyclic anhydride ; 3H-2,1-Benzoxamercurole, 7-nitro-3-oxo- ; Mercury, (3-nitrobenzoato(2-)-C2,O1)- (9CI) . 7-Nitro-3-oxo-3H-2,1-benzoxamercurole with cas registry number of 53663-14-2 is used as a pharmaceutical intermediate .