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CAS No.: | 54-64-8 |
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Name: | Thimerosal |
Molecular Structure: | |
Formula: | C9H9HgNaO2S |
Molecular Weight: | 404.81 |
Synonyms: | Mercurate(1-),ethyl[2-(mercapto-kS)benzoato(2-)-kO]-, sodium (9CI);Mercurate(1-), ethyl[2-mercaptobenzoato(2-)-O,S]-,sodium;Mercury, ethyl(hydrogen o-mercaptobenzoato)-, sodium salt (8CI);Elicide;Ethylmercurithiosalicylatesodium salt;Mercurothiolate;Merfamin;Merseptyl;Merthiolate;Merthiolatesodium;Mertorgan;Merzonin;NSC 4794;Nosemack;SET;Sodium2-(ethylmercurithio)benzoate;Sodium merthiolate;Sodiumo-(ethylmercurithio)benzoate;Thimerosal;Thimersalate;Thiomersal;Thiomersalat;Thiomersalate;Vitaseptol;[(o-Carboxyphenyl)thio]ethylmercurysodium salt;o-(Ethylmercurithio)benzoic acid sodium salt; |
EINECS: | 200-210-4 |
Melting Point: | 234-237 °C (dec.)(lit.) |
Boiling Point: | 298.6oC at 760mmHg |
Flash Point: | 250 °C |
Solubility: | 1 G/ML (20 ºC) |
Appearance: | Slightly beige powder |
Hazard Symbols: | T+,N,T |
Risk Codes: | 26/27/28-33-50/53 |
Safety: | 13-28-36-45-60-61-28A |
Transport Information: | UN 2025 |
PSA: | 65.43000 |
LogP: | 1.57790 |
The Thiomersal, also known as Merthiolate sodium, is an organomercury compound with the formula C9H9HgNaO2S. It belongs to the product category of Organometallics. Its EINECS registry number is 200-210-4. With the CAS registry number 54-64-8, its IUPAC name is Ethyl(2-mercaptobenzoato-(2-)-O,S) mercurate(1-) sodium. This chemical is a slightly beige powder.
Physical properties of Thiomersal: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 2; (3)Rotatable Bond Count: 3; (4)Exact Mass: 405.992721; (5)MonoIsotopic Mass: 405.992721; (6)Topological Polar Surface Area: 65.4; (7)Heavy Atom Count: 14; (8)Formal Charge: 0; (9)Complexity: 180; (10)Isotope Atom Count: 0; (11)Defined Atom StereoCenter Count: 0; (12)Undefined Atom StereoCenter Count: 0; (13)Defined Bond StereoCenter Count: 0; (14)Undefined Bond StereoCenter Count: 0; (15)Covalently-Bonded Unit Count: 2.
Preparation: Thiomersal can be prepared by Phosphorus sulfur acid and Chlorinated b mercury.
Uses of Thiomersal: Thiomersal's main use is as an antiseptic and antifungal agent. Unlike other vaccine preservatives used at the time, thiomersal does not reduce the potency of the vaccines that it protects. Bacteriostatics like thiomersal are not needed in more-expensive single-dose injectables. Its use as a vaccine preservative is controversial, and it is being phased out from routine childhood vaccines in the United States, the European Union, and a few other countries.
When you are using this chemical, please be cautious about it as the following:
This chemicals that at very low levels can cause damage to health. It may present an immediate or delayed danger to one or more components of the environment. In addition, it is very toxic by inhalation, in contact with skin and if swallowed. What's more, this chemical is very toxic to aquatic organisms which may cause long-term adverse effects in the aquatic environment. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC[Hg]SC1=CC=CC=C1C(=O)[O-].[Na+]
(2)InChI: InChI=1S/C7H6O2S.C2H5.Hg.Na/c8-7(9)5-3-1-2-4-6(5)10;1-2;;/h1-4,10H,(H,8,9);1H2,2H3;;/q;;2*+1/p-2
(3)InChIKey: RTKIYNMVFMVABJ-UHFFFAOYSA-L
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
child | LDLo | intraaural | 60mg/kg/4W-I (60mg/kg) | BEHAVIORAL: ATAXIA GASTROINTESTINAL: NAUSEA OR VOMITING | Journal of Pediatrics. Vol. 104, Pg. 311, 1984. |
man | TDLo | oral | 28571ug/kg/10 (28.571mg/kg) | BRAIN AND COVERINGS: OTHER DEGENERATIVE CHANGES BEHAVIORAL: ANOREXIA (HUMAN BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) | Rinsho Shinkeigaku. Clinical Neurology. Vol. 6, Pg. 697, 1966. |
man | TDLo | oral | 83mg/kg (83mg/kg) | BEHAVIORAL: COMA LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)" | Journal of Toxicology, Clinical Toxicology. Vol. 34, Pg. 453, 1996. |
mouse | LD50 | intraperitoneal | 54mg/kg (54mg/kg) | Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 58, Pg. 235, 1962. | |
mouse | LD50 | intravenous | 45mg/kg (45mg/kg) | KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)" | Quarterly Journal of Pharmacy & Pharmacology. Vol. 12, Pg. 212, 1939. |
mouse | LD50 | oral | 91mg/kg (91mg/kg) | Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 58, Pg. 235, 1962. | |
mouse | LD50 | subcutaneous | 66mg/kg (66mg/kg) | Quarterly Journal of Pharmacy & Pharmacology. Vol. 12, Pg. 212, 1939. | |
rat | LD50 | oral | 75mg/kg (75mg/kg) | Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc., 1966. Vol. -, Pg. 1130, 1966. | |
rat | LD50 | subcutaneous | 98mg/kg (98mg/kg) | Clinical Toxicology. Vol. 4, Pg. 185, 1971. | |
rat | LD50 | unreported | 40mg/kg (40mg/kg) | "Chemistry of Pesticides," Melnikov, N.N., New York, Springer-Verlag New York, Inc., 1971Vol. -, Pg. 290, 1971. |