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