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4-(Cyanomethyl)phenyl 4-methylbenzene-1-sulfonate is a chemical compound that features a cyanomethyl group (–CH2CN) attached to a phenyl ring and a sulfonate group (–SO3) attached to a 4-methylbenzene ring. This unique structure positions it as a versatile reagent for the synthesis of various organic compounds, with potential applications in organic synthesis, pharmaceuticals, and materials science.

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  • 175135-39-4 Structure
  • Basic information

    1. Product Name: 4-(CYANOMETHYL)PHENYL 4-METHYLBENZENE-1-SULFONATE
    2. Synonyms: 4-(CYANOMETHYL)PHENYL 4-METHYLBENZENE-1-SULFONATE;4-(cyanomethyl)phenyl 4-methylbenzene-1-sulphonate;4-(4-METHYLBENZENESULFONYLOXY)PHENYLACETONITRILE;4-(CyanoMethyl)phenyl 4-Methylbenzenesulfonate
    3. CAS NO:175135-39-4
    4. Molecular Formula: C15H13NO3S
    5. Molecular Weight: 287.33
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 175135-39-4.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 476.2°C at 760 mmHg
    3. Flash Point: 241.8°C
    4. Appearance: /
    5. Density: 1.273g/cm3
    6. Vapor Pressure: 3.12E-09mmHg at 25°C
    7. Refractive Index: 1.587
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 4-(CYANOMETHYL)PHENYL 4-METHYLBENZENE-1-SULFONATE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 4-(CYANOMETHYL)PHENYL 4-METHYLBENZENE-1-SULFONATE(175135-39-4)
    12. EPA Substance Registry System: 4-(CYANOMETHYL)PHENYL 4-METHYLBENZENE-1-SULFONATE(175135-39-4)
  • 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: 175135-39-4(Hazardous Substances Data)

175135-39-4 Usage

Uses

Used in Organic Synthesis:
4-(Cyanomethyl)phenyl 4-methylbenzene-1-sulfonate is used as a reagent for the synthesis of various organic compounds. Its cyanomethyl and sulfonate functional groups enable the creation of new molecules and materials, making it a valuable tool in the field of organic chemistry.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 4-(Cyanomethyl)phenyl 4-methylbenzene-1-sulfonate is used as a building block for the development of new drugs. Its unique structure can be utilized to create novel pharmaceutical compounds with potential therapeutic applications.
Used in Materials Science:
4-(Cyanomethyl)phenyl 4-methylbenzene-1-sulfonate is also used in materials science for the development of new materials. Its properties and potential for creating new molecules and materials make it of interest to researchers working on innovative materials with specific properties for various applications.

Check Digit Verification of cas no

The CAS Registry Mumber 175135-39-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,7,5,1,3 and 5 respectively; the second part has 2 digits, 3 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 175135-39:
(8*1)+(7*7)+(6*5)+(5*1)+(4*3)+(3*5)+(2*3)+(1*9)=134
134 % 10 = 4
So 175135-39-4 is a valid CAS Registry Number.
InChI:InChI=1/C15H13NO3S/c1-12-2-8-15(9-3-12)20(17,18)19-14-6-4-13(5-7-14)10-11-16/h2-9H,10H2,1H3

175135-39-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name [4-(cyanomethyl)phenyl] 4-methylbenzenesulfonate

1.2 Other means of identification

Product number -
Other names HMS546C09

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:175135-39-4 SDS

175135-39-4Downstream Products

175135-39-4Relevant articles and documents

Accelerated SuFEx Click Chemistry For Modular Synthesis**

Barrow, Andrew S.,Gialelis, Timothy L.,Homer, Joshua A.,Koelln, Rebecca A.,Moses, John E.,Smedley, Christopher J.

supporting information, (2021/12/10)

SuFEx click chemistry is a powerful method designed for the selective, rapid, and modular synthesis of functional molecules. Classical SuFEx reactions form stable S?O linkages upon exchange of S?F bonds with aryl silyl-ether substrates, and while near-per

Synthesis of α-Aryl nitriles through palladium-catalyzed decarboxylative coupling of cyanoacetate salts with aryl halides and triflates

Shang, Rui,Ji, Dong-Sheng,Chu, Ling,Fu, Yao,Liu, Lei

supporting information; experimental part, p. 4470 - 4474 (2011/06/24)

Worth its salt: The palladium-catalyzed decarboxylative coupling of the cyanoacetate salt as well as its mono- and disubstituted derivatives with aryl chlorides, bromides, and triflates is described (see scheme). This reaction is potentially useful for the preparation of a diverse array of α-aryl nitriles and has good functional group tolerance. S-Phos=2-(2,6- dimethoxybiphenyl)dicyclohexylphosphine), Xant-Phos=4,5-bis(diphenylphosphino)- 9,9-dimethylxanthene. Copyright

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