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3-(METHYLSULFONYL)PROPANOIC ACID, with the molecular formula C4H8O4S, is a propanoic acid derivative featuring a methylsulfonyl group attached to the third carbon atom. 3-(METHYLSULFONYL)PROPANOIC ACID exhibits unique chemical properties that make it valuable in various industrial and laboratory applications.

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  • 645-83-0 Structure
  • Basic information

    1. Product Name: 3-(METHYLSULFONYL)PROPANOIC ACID
    2. Synonyms: 3-(METHYLSULFONYL)PROPANOIC ACID;3-(Methylsulfonyl)propionic acid;3-mesylpropionic acid;Methylsulfonyl propionic acid;Propanoic acid, 3-(methylsulfonyl)-;Propionic acid, 3-(methylsulfonyl)-;3-methanesulfonylpropanoic acid
    3. CAS NO:645-83-0
    4. Molecular Formula: C4H8O4S
    5. Molecular Weight: 152
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 645-83-0.mol
  • Chemical Properties

    1. Melting Point: 102-105℃
    2. Boiling Point: 409°Cat760mmHg
    3. Flash Point: 201.1°C
    4. Appearance: /
    5. Density: 1.380
    6. Vapor Pressure: 7.81E-08mmHg at 25°C
    7. Refractive Index: 1.474
    8. Storage Temp.: Sealed in dry,Room Temperature
    9. Solubility: N/A
    10. PKA: 3.80±0.10(Predicted)
    11. CAS DataBase Reference: 3-(METHYLSULFONYL)PROPANOIC ACID(CAS DataBase Reference)
    12. NIST Chemistry Reference: 3-(METHYLSULFONYL)PROPANOIC ACID(645-83-0)
    13. EPA Substance Registry System: 3-(METHYLSULFONYL)PROPANOIC ACID(645-83-0)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 645-83-0(Hazardous Substances Data)

645-83-0 Usage

Uses

Used in Pharmaceutical and Agrochemical Industries:
3-(METHYLSULFONYL)PROPANOIC ACID serves as a crucial raw material for the synthesis of pharmaceuticals and agrochemicals, contributing to the development of new drugs and agricultural products.
Used in Chemical Production:
3-(METHYLSULFONYL)PROPANOIC ACID is utilized in the production of various chemicals, including plasticizers and corrosion inhibitors, enhancing the performance and durability of materials in different applications.
Used in Organic Synthesis:
3-(METHYLSULFONYL)PROPANOIC ACID has potential applications in the field of organic synthesis, where it can be used as a building block or intermediate for creating more complex organic molecules.
Used as a Reagent in Chemical Reactions:
Due to its unique chemical properties, 3-(METHYLSULFONYL)PROPANOIC ACID is employed as a reagent in various chemical reactions, facilitating specific transformations and processes in the laboratory and industry.

Check Digit Verification of cas no

The CAS Registry Mumber 645-83-0 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 6,4 and 5 respectively; the second part has 2 digits, 8 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 645-83:
(5*6)+(4*4)+(3*5)+(2*8)+(1*3)=80
80 % 10 = 0
So 645-83-0 is a valid CAS Registry Number.
InChI:InChI=1/C4H8O4S/c1-9(7,8)3-2-4(5)6/h2-3H2,1H3,(H,5,6)

645-83-0SDS

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-methylsulfonylpropanoic acid

1.2 Other means of identification

Product number -
Other names Propionic acid,3-(methylsulfonyl)

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:645-83-0 SDS

645-83-0Relevant articles and documents

PYRIDAZINE DERIVATIVES AS RORC MODULATORS

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Page/Page column 114, (2018/05/24)

Compounds of formula (I): (I) or pharmaceutical salts thereof, wherein m, n,, p, q A, B, Ri, R2, R3, R4, R5, R6and R7are as defined herein. Also disclosed are methods of making the compounds and using the compounds as RORs modulators for treatment of inflammatory diseases such as arthritis.

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