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Trisodium 4-carboxy-5-mercapto-3-hydroxy-isothiazole is a chemical compound with the molecular formula C4H2NNa3O4S2. It is a trisodium salt of 2,3-dihydro-5-mercapto-3-oxo-4-isothiazolecarboxylic acid, characterized by its unique structure and properties.

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  • 76857-14-2 Structure
  • Basic information

    1. Product Name: Trisodium 4-carboxy-5-mercapto-3-hydroxy-isothiazole
    2. Synonyms: Cefotetan side chain;HMIT;3-HYDROXY-5-MERCAPTO-4-ISOTHIAZOLECARBOXYLIC ACID TRISODIUM SALT;3-HYDROXY-4-CARBOXYL-5-MERCAPTO ISOTHIAZOLE TRISODIUM SALT;2,3-dihydro-5-mercapto-3-oxo-4-isothiazolecarboxylic acid trisodium salt;trisodium 4-carboxy-5-mercapto-3-hydroxy-isothiazole;HMIT:3-HYDROXY-5-MERCAPTO-4-ISOTHIAZOLECARBOXYLIC ACID TRISODIUM SALT;3-hydroxy-4-carboxy-5-mercaptoisothiazoletrisodiumsalt
    3. CAS NO:76857-14-2
    4. Molecular Formula: C4NO3S2*3Na
    5. Molecular Weight: 597.55
    6. EINECS: N/A
    7. Product Categories: (intermediate of cefotetan)
    8. Mol File: 76857-14-2.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: Inert atmosphere,Room Temperature
    8. Solubility: Methanol (Slightly, Heated), Water (Slightly)
    9. CAS DataBase Reference: Trisodium 4-carboxy-5-mercapto-3-hydroxy-isothiazole(CAS DataBase Reference)
    10. NIST Chemistry Reference: Trisodium 4-carboxy-5-mercapto-3-hydroxy-isothiazole(76857-14-2)
    11. EPA Substance Registry System: Trisodium 4-carboxy-5-mercapto-3-hydroxy-isothiazole(76857-14-2)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 76857-14-2(Hazardous Substances Data)

76857-14-2 Usage

Uses

Used in Pharmaceutical Industry:
Trisodium 4-carboxy-5-mercapto-3-hydroxy-isothiazole is used as a key intermediate in the synthesis of new cephamycin derivatives. These derivatives are potent antibacterial agents that are effective against a wide range of bacterial infections. Trisodium 4-carboxy-5-mercapto-3-hydroxy-isothiazole plays a crucial role in the development of novel antibiotics to combat drug-resistant bacteria.
Used in Chemical Synthesis:
In addition to its pharmaceutical applications, Trisodium 4-carboxy-5-mercapto-3-hydroxy-isothiazole can also be used as a building block in the synthesis of various other organic compounds. Its unique functional groups, such as the carboxylate and thiol groups, make it a versatile starting material for the preparation of a diverse array of chemical products.

Check Digit Verification of cas no

The CAS Registry Mumber 76857-14-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,6,8,5 and 7 respectively; the second part has 2 digits, 1 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 76857-14:
(7*7)+(6*6)+(5*8)+(4*5)+(3*7)+(2*1)+(1*4)=172
172 % 10 = 2
So 76857-14-2 is a valid CAS Registry Number.
InChI:InChI=1/C4H3NO3S2.3Na/c6-2-1(3(7)8)4(9)10-5-2;;;/h9H,(H,5,6)(H,7,8);;;/q;3*+1

76857-14-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-oxo-5-sulfanyl-1,2-thiazole-4-carboxylic acid,sodium

1.2 Other means of identification

Product number -
Other names 5-mercapto-3-oxo-4-isothiazolecarboxylic acid

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:76857-14-2 SDS

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