Thimerosal

Base Information

• Chemical Name: Thimerosal
• CAS No.: 54-64-8
• Deprecated CAS: 11004-81-2,113170-85-7,130995-49-2,2141-27-7,23065-35-2,25948-50-9,77536-61-9,8030-32-8,8030-33-9,362653-08-5,878791-13-0,113170-85-7,130995-49-2,2141-27-7,23065-35-2,25948-50-9,362653-08-5,77536-61-9,8030-32-8,8030-33-9,878791-13-0
• Molecular Formula: C9H9HgNaO2S
• Molecular Weight: 404.81
• Hs Code.: HgS)C6H4COONa MOL WT.
• European Community (EC) Number: 200-210-4
• UNII: 2225PI3MOV
• DSSTox Substance ID: DTXSID3025540
• Metabolomics Workbench ID: 143640
• NCI Thesaurus Code: C47751
• RXCUI: 10472
• Wikidata: Q411046
• Wikipedia: Thiomersal
• Mol file: 54-64-8.mol

Synonyms:Ethylmercurithiosalicylate, Sodium;Mercurothiolate;Merthiolate;Sodium Ethylmercurithiosalicylate;Thimerosal;Thiomersal;Thiomersalate;Vitaseptol

Chemical Property of Thimerosal

Chemical Property:

• Appearance/Colour: Slightly beige powder
• Melting Point: 234-237 °C (dec.)(lit.)
• Boiling Point: 298.6oC at 760mmHg
• Flash Point: 250 °C
• PSA: 65.43000
• LogP: 1.57790
• Storage Temp.: Store at RT.
• Solubility.: methanol: 0.1 g/mL, ≤ 10 TE CF
• Water Solubility.: 1 G/ML (20 ºC)
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 405.992739
• Heavy Atom Count: 14
• Complexity: 180

Purity/Quality:

≥97% ^*data from raw suppliers

Thimerosal ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T+,N,T
• Hazard Codes: T+,N,T
• Statements: 26/27/28-33-50/53
• Safety Statements: 13-28-36-45-60-61-28A

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC[Hg]SC1=CC=CC=C1C(=O)[O-].[Na+]
• Description: Since the 1930s, thimerosal (sodium ethylmercury thiosalicylate) has been used in the manufacture of vaccines to prevent fungal or bacterial contamination of multidose preparations. The single-dose vaccines are much more expensive and thus the use of the preservative significantly reduces the cost of vaccination. There is controversy as to whether the use of thimerosal in vaccines is an etiological factor in autism and other neurodevelopmental disorders such as attention deficit hyperactivity disorder. It has been estimated that children exposed to mercury-containing vaccines could be exposed to levels of mercury far beyond those considered safe by the US Food and DrugAdministration (FDA) standards. Therefore, in 1999, theUS Public Health Service agencies urged vaccine manufacturers to stop or limit the use of the preservative in vaccine formulations. Today, the vaccines on the US Recommended Childhood and Adolescent Immunization Schedule are thimerosal-free although some formulations of the influenza vaccine still contain the mercury-containing preservative. The Centers for DiseaseControl and Prevention (CDC) has discounted an association between exposure to this organic ethylmercury compound and autism. This is based on studies showing that the risk of autism is not increased in children treated with vaccines containing the preservative compared with children who were vaccinated with thimerosal-free formulations. Furthermore, in Denmark, the use of the preservative was discontinued after 1992. After removal of thimerosal, there was a continued rise in new cases of autism.
• Uses: Thimerosal is used as ophthalmie preservative; topieal anti-infective; topical veterinary antibacterial and antifungal agent; bacteriostat; fungistat; preservative in vaccines, antitoxins, skin-testing allergens, antiseptics, contact-Iens solutions, and cosmetic products like eye makeup. Pharmaceutic aid (preservative). Thiomersal is an organomercury compound that is used as an antiseptic and antifungal agent It is used as a vaccine preservative. During cell culture, thiomersal is used to prevent overgrowth in fibroblast cells 1. It has been used to preserve Atovaquone 2. antifungal, antimicrobial nootropic Anti-Alzheimer’s drug main ingredient of Neupramir derived from Piracetam but 8-30 times more potent
• Therapeutic Function: Antiseptic, Pharmaceutic aid

Refernces

An efficient and regioselective one-pot multi-component synthesis of pyrimido[4,5-d]pyrimidine derivatives in water

10.1016/j.tetlet.2013.12.095

The research aims to develop a more efficient and sustainable method for synthesizing pyrimido[4,5-d]pyrimidine derivatives, which are known for their pharmacological properties such as bronchodilatory, vasodilatory, antiallergic, antihypertensive, and anticancer effects. The study employs a one-pot multi-component reaction using isothiocyanate, aromatic aldehydes, and N,N-dimethyl-6-amino uracil in water, catalyzed by p-toluenesulfonic acid (p-TSA). The purpose is to overcome traditional synthetic drawbacks like hazardous solvents, complex pathways, and unwanted by-products. The key conclusion is that the use of p-TSA in water as a solvent provides an environmentally benign, inexpensive, and efficient process yielding pyrimido[4,5-d]pyrimidine derivatives in moderate to good yields. The study also explores the substrate scope with various aromatic aldehydes, observing electronic and steric effects on product yield. The synthesized compounds are characterized by various spectroscopic techniques, confirming their structures.

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