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Sodium 2,3-dimercapto-1-propanesulfonate, also known as DMPS, is an organosulfur compound with the chemical formula C3H7NaO3S3. It is a chelating agent that has the ability to bind with heavy metals, particularly mercury, and is used in various applications due to its strong affinity for these metals.

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  • 4076-02-2 Structure
  • Basic information

    1. Product Name: Sodium 2,3-dimercapto-1-propanesulfonate
    2. Synonyms: 2,3-dimercapto-1-propanesulfonicacimonosodiumsalt;2,3-dimercaptopropanesodiumsulphonate;sodium2,3-dimercaptopropane-1-sulfonate;sodium2,3-dithiolpropanesulfonate;unitiol;2,3-PROPANEDITHIOL-1-SULPHONIC ACID SODIUM SALT;2,3-DIMERCAPTOPROPYLSULPHONIC ACID SODIUM SALT;2,3-DIMERCAPTO-1-PROPANE-SULFONIC ACID SODIUM SALT
    3. CAS NO:4076-02-2
    4. Molecular Formula: C3H7O3S3*Na
    5. Molecular Weight: 210.27
    6. EINECS: 223-796-3
    7. Product Categories: Sulphur Derivatives;Aliphatics;Organic acids;API
    8. Mol File: 4076-02-2.mol
  • Chemical Properties

    1. Melting Point: 215 °C (dec.)
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: H2O: 0.1 g/mL, clear
    9. Merck: 14,3210
    10. BRN: 3734863
    11. CAS DataBase Reference: Sodium 2,3-dimercapto-1-propanesulfonate(CAS DataBase Reference)
    12. NIST Chemistry Reference: Sodium 2,3-dimercapto-1-propanesulfonate(4076-02-2)
    13. EPA Substance Registry System: Sodium 2,3-dimercapto-1-propanesulfonate(4076-02-2)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: 36/37/38
    3. Safety Statements: 24/25-36-26
    4. WGK Germany: 3
    5. RTECS: TZ6420000
    6. F: 10-23
    7. HazardClass: N/A
    8. PackingGroup: N/A
    9. Hazardous Substances Data: 4076-02-2(Hazardous Substances Data)

4076-02-2 Usage

Uses

Used in Heavy Metal Detoxification:
Sodium 2,3-dimercapto-1-propanesulfonate is used as a chelating agent for heavy metal detoxification, particularly in cases of mercury poisoning. It helps to bind and remove toxic heavy metals from the body, reducing their harmful effects on human health.
Used in Engineering and Chemical Processes:
Sodium 2,3-dimercapto-1-propanesulfonate is used as an additive in the engineering or chemical process of preparation methods for rare earth modified graphene reinforced metal matrix composite bars. Its chelating properties help to improve the dispersion and bonding of rare earth elements within the composite material, enhancing the overall performance and properties of the final product.

Pharmaceutical Applications

2,3-Dimercapto-1-propanesulfonic acid (DMPS) is also a thiol-containing chelating agent. It also contains sulfhydryl groups and an additional sulfate group. Researchers in the former Soviet Union found that DMPS is a useful chelating agent and has some effect as an antidote to mercury.

Check Digit Verification of cas no

The CAS Registry Mumber 4076-02-2 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,0,7 and 6 respectively; the second part has 2 digits, 0 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 4076-02:
(6*4)+(5*0)+(4*7)+(3*6)+(2*0)+(1*2)=72
72 % 10 = 2
So 4076-02-2 is a valid CAS Registry Number.
InChI:InChI=1/C3H8O3S3.Na/c4-9(5,6)2-3(8)1-7;/h3,7-8H,1-2H2,(H,4,5,6);/q;+1/p-1

4076-02-2SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name Sodium 2,3-dimercapto-1-propanesulfonate

1.2 Other means of identification

Product number -
Other names 2,3-Dimercaptopropylsulphonica

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:4076-02-2 SDS

4076-02-2Downstream Products

4076-02-2Relevant articles and documents

Method for preparing sodium 2,3-dimercapto-1-propanesulfonate

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Paragraph 0038; 0039; 0040; 0047; 0048; 0052; 0053, (2019/05/08)

The invention belongs to the technical field of drug synthesis, and in particular relates to a method for preparing sodium 2,3-dimercapto-1-propanesulfonate. With sodium allysulfonate used as a starting material and through a bromination reaction, a sulfhydrylation reaction, a lead salt reaction and a lead removal reaction, high-content sodium 2,3-dimercapto-1-propanesulfonate is obtained by refinement. The total yield is 23.2% and above; especially when zinc dust reduction step is added after hydrolysis, the yield can be greatly increased, the total yield can reach 35-41.5%, and the refined sodium 2,3-dimercapto-1-propanesulfonate content reaches 99% and above. Ethanethioic acid potassium salt is used as a sulphurizing agent and then is hydrolyzed under strong acid conditions, and dilutesulfuric acid is used for lead removal after lead formation. During the whole reaction and treatment process, toxic gas hydrogen sulfide which affects the environment is prevented from being used or generated. Thereby, working conditions are improved, emission of three wastes is reduced, and production efficiency is enhanced.

A kind of improved 2, 3 - dimercapto method for the synthesis of the sodium

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Paragraph 0032; 0035; 0038; 0039, (2018/11/03)

The invention belongs to the organic or drug synthesis field and relates to a synthetic method of improved sodium 2,3-dimercaptosulphonate. The adopted technical scheme is as follows: sulfhydrylation reaction is adopted, wherein the PH value of sodium (potassium) bisulfide solution is an important process parameter of the sulfhydrylation reaction. Commercial NaHS solids are dissolved with water, halogenated acids such as concentrated hydrochloric acid and the like are used for neutralizing until the PH value is 6.5-7, and then the NaHS solution is reacted with 2,3-dibromo-1-propanesulfonic acid sodium salt; and besides, high-selectivity environment and condition are provided for the sulfhydrylation reaction of sodium 2,3-dimercaptosulphonate, hydrogen sulfide gas which is highly toxic is not used, and the working condition is improved; and furthermore, hydrogen chloride methanol solution is used for deleading reaction, the hydrogen sulfide gas which is highly toxic and has influence on environment is avoided, and the working condition is improved.

Sodium dimercaptopropansulfonate preparation method

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Paragraph 0069; 0070; 0102-0111, (2017/10/27)

The invention relates to the field of chemical pharmacy, and specifically provides a sodium dimercaptopropansulfonate preparation method. The sodium dimercaptopropansulfonate preparation method comprises that 1) sodium allyl sulfonate and bromine are subjected to a reaction under the effect of an auxiliary agent to obtain sodium dibromo propansulfonate, wherein the auxiliary agent is selected from sodium bromide, sodium iodide, or a combination thereof; 2) the sodium dibromo propanesulfonate obtained in step 1), sodium hydrosulfide and zinc acetate are subjected to a reaction to obtain a sodium dimercaptopropansulfonate-zinc complex; and 3) the sodium dimercaptopropansulfonate-zinc complex obtained in the step 2) reacts with hydrogen sulfide to obtain the sodium dimercaptopropansulfonate. According to the present invention, the preparation method has characteristics of low toxicity of the used reagent, low environmental pollution, low cost of zinc acetate, low consumption, low cost, simple process, no requirement of high pressure equipment and safe operation, and is suitable for industrial production, and the obtained sodium dimercaptopropansulfonate has the high purity and meets the quality requirements of the bulk drug.

An improved synthesis of 2,3-dithiopurine propyl sodium Hydrosulfuryl reaction method

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Paragraph 0034; 0036; 0092; 0095; 0097; 0102; 0104, (2018/07/10)

The invention discloses a novel method for sulfhydrylation reaction in a synthesis process of 2,3-sodium dimercaptosulphonate. Different from the existing sulfhydrylation reaction, the sulfhydrylation reaction is fulfilled by introducing high pressure hydrogen sulfide gas into absolute ethyl alcohol solution of sodium alcoholate to obtain sodium hydrosulfide and then adding 2,3-dibromo-1-propanesulfonic acid sodium salt, and carrying out sulfhydrylation reaction under the condition of continuously introducing high pressure hydrogen sulfide in short time and under the high yield. Therefore, the bottleneck technology of the sulfhydrylation reaction in the synthesis process of 2,3-sodium dimercaptosulphonate, which is very troubled, is successfully solved.

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