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  • 13313-45-6 Structure
  • Basic information

    1. Product Name: 3-(methylthio)-N-phenylaniline
    2. Synonyms: 3-(methylthio)-N-phenylaniline;3-(Methylthio)-diphenylamine;3-(Methylthio)-N-phenylbenzenamine;Benzenamine, 3-(methylthio)-N-phenyl-;Einecs 236-342-4
    3. CAS NO:13313-45-6
    4. Molecular Formula: C13H13NS
    5. Molecular Weight: 215.31402
    6. EINECS: 236-342-4
    7. Product Categories: N/A
    8. Mol File: 13313-45-6.mol
    9. Article Data: 1
  • Chemical Properties

    1. Melting Point: 59-61 °C(Solv: ethanol (64-17-5))
    2. Boiling Point: 352.6 °C at 760 mmHg
    3. Flash Point: 167 °C
    4. Appearance: /
    5. Density: 1.14g/cm3
    6. Vapor Pressure: 3.79E-05mmHg at 25°C
    7. Refractive Index: 1.639
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. PKA: 0.38±0.30(Predicted)
    11. CAS DataBase Reference: 3-(methylthio)-N-phenylaniline(CAS DataBase Reference)
    12. NIST Chemistry Reference: 3-(methylthio)-N-phenylaniline(13313-45-6)
    13. EPA Substance Registry System: 3-(methylthio)-N-phenylaniline(13313-45-6)
  • 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: 13313-45-6(Hazardous Substances Data)

13313-45-6 Usage

Description

3-(methylthio)-N-phenylaniline, also known as Methythionine and 3-methylthioaniline, is a chemical compound with the molecular formula C13H13NS. It is characterized by its yellowish to brown solid appearance and a melting point of approximately 77-78 °C. 3-(methylthio)-N-phenylaniline is primarily used as an intermediate in the synthesis of various organic compounds, including pharmaceuticals and dyes, and serves as a precursor for the preparation of biologically active substances. It is predominantly found in research and development settings and is not commonly present in consumer products. Due to its potential health risks and environmental concerns, it is crucial to adhere to proper handling and disposal procedures when working with 3-(methylthio)-N-phenylaniline.

Uses

Used in Pharmaceutical Industry:
3-(methylthio)-N-phenylaniline is used as an intermediate in the synthesis of pharmaceuticals for its ability to contribute to the development of new drugs and medicinal compounds. Its unique chemical structure allows it to be a key component in creating a variety of therapeutic agents.
Used in Dye Industry:
In the dye industry, 3-(methylthio)-N-phenylaniline is utilized as an intermediate in the production of dyes, where its chemical properties contribute to the creation of a range of colorants for various applications.
Used in Research and Development:
3-(methylthio)-N-phenylaniline is used as a research compound for the exploration of new chemical reactions and the development of novel organic compounds. Its role in research is vital for advancing scientific knowledge and discovering new applications in various fields.
Used in the Preparation of Biologically Active Compounds:
As a known precursor, 3-(methylthio)-N-phenylaniline is used in the preparation of biologically active compounds, which have potential applications in medicine and other industries. Its involvement in the synthesis of these compounds highlights its importance in creating substances with significant biological effects.

Check Digit Verification of cas no

The CAS Registry Mumber 13313-45-6 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,3,3,1 and 3 respectively; the second part has 2 digits, 4 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 13313-45:
(7*1)+(6*3)+(5*3)+(4*1)+(3*3)+(2*4)+(1*5)=66
66 % 10 = 6
So 13313-45-6 is a valid CAS Registry Number.
InChI:InChI=1/C13H13NS/c1-15-13-9-5-8-12(10-13)14-11-6-3-2-4-7-11/h2-10,14H,1H3

13313-45-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-methylsulfanyl-N-phenylaniline

1.2 Other means of identification

Product number -
Other names (3-methylsulfanyl-phenyl)-phenyl-amine

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:13313-45-6 SDS

13313-45-6Relevant articles and documents

Method for synthesizing 3-(methylthio) dibenzenamine by light/nickel concerted catalysis

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Paragraph 0035; 0058-0059, (2018/09/11)

The invention discloses a method for synthesizing 3-(methylthio) dibenzenamine by light/nickel concerted catalysis. According to the method, cheap 3-(methylthio) benzenamine and halogeno benzene are used as raw materials, a light/nickel concerted catalysis strategy is used for constructing C-N bonds for the first time, and pyridazines drug key intermediate 3-(methylthio) dibenzenamine is synthesized. The method has the advantages that 1) the use amount of a photocatalyst is low, and is 0.01-0.02% of the molar weight of the halogeno benzene; 2) nickel salt is directly used as a metal catalyst such as nickel bromide, and an external ligand is not required; 3) reaction conditions are gentle, and can be effectively carried out at the temperature of 40-50 DEG C; and 4) the product can be directly obtained by reduced pressure distillation and is easily separated. By the remarkable advantages, the method has good industrial application prospect.

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