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  • 875-99-0 Structure
  • Basic information

    1. Product Name: 3-(METHYLTHIO) BENZOIC ACID
    2. Synonyms: beta-pericyclocamphanone;3-(METHYLTHIO) BENZOIC ACID 99.0%MIN;3-Methylthio benzoic;3-(methylthio) benzo;4,7,7-Trimethyltricyclo(2.2.1.0(2,6))heptan-3-one
    3. CAS NO:875-99-0
    4. Molecular Formula: C8H8O2S
    5. Molecular Weight: 168.21
    6. EINECS: N/A
    7. Product Categories: Organic acids
    8. Mol File: 875-99-0.mol
    9. Article Data: 3
  • Chemical Properties

    1. Melting Point: 126-130 °C(lit.)
    2. Boiling Point: 207.5 °C at 760 mmHg
    3. Flash Point: 72.2 °C
    4. Appearance: /
    5. Density: 1.105 g/cm3
    6. Vapor Pressure: 0.225mmHg at 25°C
    7. Refractive Index: 1.537
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 3-(METHYLTHIO) BENZOIC ACID(CAS DataBase Reference)
    11. NIST Chemistry Reference: 3-(METHYLTHIO) BENZOIC ACID(875-99-0)
    12. EPA Substance Registry System: 3-(METHYLTHIO) BENZOIC ACID(875-99-0)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany: 3
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 875-99-0(Hazardous Substances Data)

875-99-0 Usage

Description

3-(METHYLTHIO) BENZOIC ACID, with the molecular formula C8H8O2S, is a benzoic acid derivative featuring a methylthio group (-SCH3) attached to the third carbon atom of the benzene ring. 3-(METHYLTHIO) BENZOIC ACID is recognized for its potential biological activities and is a significant player in organic synthesis and pharmaceutical research. Its molecular structure and properties render it a valuable asset in the realm of medicinal chemistry and drug discovery.

Uses

Used in Pharmaceutical Research:
3-(METHYLTHIO) BENZOIC ACID is used as a key intermediate in the synthesis of various pharmaceuticals for its potential biological activities, including anti-inflammatory, anti-bacterial, and anti-fungal properties. Its unique structure allows it to be a promising candidate for the development of new drugs.
Used in Organic Synthesis:
In the field of organic synthesis, 3-(METHYLTHIO) BENZOIC ACID is utilized as a building block for the creation of more complex organic compounds. Its reactivity and functional groups make it suitable for a wide range of chemical reactions, contributing to the synthesis of various organic molecules.
Used in Medicinal Chemistry:
3-(METHYLTHIO) BENZOIC ACID is employed as a compound of interest in medicinal chemistry due to its potential therapeutic applications. Its anti-inflammatory, anti-bacterial, and anti-fungal properties are being studied for the development of new treatments for various diseases and conditions.
Used in Drug Discovery:
3-(METHYLTHIO) BENZOIC ACID is used as a starting material in drug discovery processes. Its unique chemical properties and potential biological activities make it a valuable component in the search for new and effective pharmaceutical agents.

Check Digit Verification of cas no

The CAS Registry Mumber 875-99-0 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 8,7 and 5 respectively; the second part has 2 digits, 9 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 875-99:
(5*8)+(4*7)+(3*5)+(2*9)+(1*9)=110
110 % 10 = 0
So 875-99-0 is a valid CAS Registry Number.
InChI:InChI=1/C10H14O/c1-9(2)7-5-4-10(9,3)8(11)6(5)7/h5-7H,4H2,1-3H3

875-99-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-(METHYLTHIO) BENZOIC ACID

1.2 Other means of identification

Product number -
Other names 3-(methylthio) benzo

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:875-99-0 SDS

875-99-0Downstream Products

875-99-0Relevant articles and documents

Wolff rearrangement of α-diazoketones using in situ generated silver nanoclusters as electron mediators

Sudrik, Surendra G.,Sharma, Jadab,Chavan, Vilas B.,Chaki, Nirmalya K.,Sonawane, Harikisan R.,Vijayamohanan, Kunjukrishna P.

, p. 1089 - 1092 (2007/10/03)

We report Wolff rearrangement of α-diazoketones by in situ generated silver nanoclusters (Agn, 2-4 nm) from silver(I) oxide (Ag 2O) involving a nonclassical electron-transfer process. Our results show that Agn+/Agn0 redox couple allows the initial removal of an electron from α-diazoketone and its back-donation after chemical reaction(s). Controlled potential coulometry (CPC) of various α-diazoketones results in the realization of Wolff-rearranged carboxylic acids in excellent yields.

Formation of 1,3-Oxathiole-2-thione and 1,2,4-Trithiolane Derivatives by the Catalytic Reaction of α-Diazocarbonyl Compounds with Carbon Disulfide

Ibata, Toshikazu,Nakano, Hirofumi

, p. 3096 - 3102 (2007/10/02)

The rhodium(II) acetate-catalyzed decompositin of α-diazocarbonyl compounds such as substituted α-diazoacetophenones, cyclic diazoketones, cyclic diazodiketones, and α-diazo-β-ketoesters in carbon disulfide gave 1,3-dioxathiole-2-thione derivatives in goo

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