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Thimerosal

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Name

Thimerosal

EINECS 200-210-4
CAS No. 54-64-8 Density N/A
PSA 65.43000 LogP 1.57790
Solubility 1 G/ML (20 ºC) Melting Point 234-237 °C (dec.)(lit.)
Formula C9H9HgNaO2S Boiling Point 298.6oC at 760mmHg
Molecular Weight 404.81 Flash Point 250 °C
Transport Information UN 2025 Appearance Slightly beige powder
Safety 13-28-36-45-60-61-28A Risk Codes 26/27/28-33-50/53
Molecular Structure Molecular Structure of 54-64-8 (Thimerosal) Hazard Symbols VeryT+,DangerousN,ToxicT
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;

 

Thimerosal Consensus Reports

Mercury and its compounds are on the Community Right-To-Know List. EPA Genetic Toxicology Program.

Thimerosal 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.
NIOSH REL: (Mercury, Aryl and Inorganic) CL 0.1 mg/m3 (skin)

Thimerosal Specification

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.

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