CAS No.54-64-8,Thimerosal Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	54-64-8
Name:	Thimerosal

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

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Consensus Reports

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

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)

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.