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CAS

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41480-07-3

3-methylphenyl benzenesulfonate, also known as 3-methylbenzenesulfonic acid phenylmethyl ester, is an organic compound with the chemical formula C13H12O3S. It is a derivative of benzenesulfonic acid, featuring a methyl group attached to the phenyl ring and a benzenesulfonyl group esterified to the phenylmethyl moiety. 3-methylphenyl benzenesulfonate is characterized by its aromatic structure and the presence of a sulfonyl group, which imparts unique chemical properties. It is used in various chemical reactions and synthesis processes, particularly in the preparation of pharmaceuticals and other organic compounds. The compound's structure allows for a range of applications, including as an intermediate in the synthesis of more complex molecules, and it is also of interest in chemical research due to its reactivity and potential for functional group transformations.

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  • 41480-07-3 Structure

  • Basic information

    1. Product Name: 3-methylphenyl benzenesulfonate
    2. Synonyms: Benzenesulfonic acid, m-tolyl ester
    3. CAS NO:41480-07-3
    4. Molecular Formula: C13H12O3S
    5. Molecular Weight: 248.2976
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 41480-07-3.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 394.2°C at 760 mmHg
    3. Flash Point: 192.2°C
    4. Appearance: N/A
    5. Density: 1.245g/cm3
    6. Vapor Pressure: 4.59E-06mmHg at 25°C
    7. Refractive Index: 1.583
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 3-methylphenyl benzenesulfonate(CAS DataBase Reference)
    11. NIST Chemistry Reference: 3-methylphenyl benzenesulfonate(41480-07-3)
    12. EPA Substance Registry System: 3-methylphenyl benzenesulfonate(41480-07-3)

  • 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: 41480-07-3(Hazardous Substances Data)

41480-07-3 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 41480-07-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 4,1,4,8 and 0 respectively; the second part has 2 digits, 0 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 41480-07:
(7*4)+(6*1)+(5*4)+(4*8)+(3*0)+(2*0)+(1*7)=93
93 % 10 = 3
So 41480-07-3 is a valid CAS Registry Number.

41480-07-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name (3-methylphenyl) benzenesulfonate

1.2 Other means of identification

Product number -
Other names 3-Benzolsulfonyloxy-toluol

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:41480-07-3 SDS

41480-07-3Relevant articles and documents

Deprotection of durable benzenesulfonyl protection for phenols — efficient synthesis of polyphenols

Alam, Mohammad Shariful,Koo, Sangho

supporting information, p. 247 - 254 (2018/01/08)

A robust protection method for phenol was demonstrated by the use of durable benzenesulfonyl group, which survives various harsh reaction conditions using Grignard reagent, organolithium reagent, metal alkoxide, phosgene, mineral, and Lewis acids. A facile deprotection condition utilizing pulverized KOH (5 equiv) and t-BuOH (10 equiv) in hot toluene makes this protocol as a practical method, which can be applied to the multistep synthesis of biologically and medicinally important polyphenol compounds.

Highly efficient Pd-catalyzed cyanation of aryl chlorides and arenesulfonates with potassium ferrocyanide in aqueous media

Zhang, Junli,Chen, Xiaorong,Hu, Tongjie,Zhang, Yuan,Xu, Kunling,Yu, Yanpeng,Huang, Jun

experimental part, p. 56 - 60 (2011/01/12)

A highly improved Pd-catalyzed cyanation of aryl chlorides to corresponding benzonitriles was demonstrated in aqueous media. Moreover, Pd-catalyzed cyanation of aryl tosylates and benzenesulfonates with K4[Fe(CN) 6] was developed under the similar conditions, which extended application scope of the cyanation. Graphical Abstract: [Figure not available: see fulltext.]

KINETICS OF SULFONYLATION OF SUBSTITUTED PHENOLS IN THE PRESENCE OF TRIETHYLAMINE

Vizgert, R. V.,Maksimenko, N. N.,Krut'ko, I. N.

, p. 1247 - 1252 (2007/10/02)

The rate constants for the sulfonation of meta- and para-substituted phenols by benzenesulfonyl chloride in the presence of triethylamine in benzene were determined.The dependence of the rate constants on the Hammett ? constants has a V-shaped form.The effect of the leaving group was investigated, and the kinetic isotope effect was determined.The possibility of reaction by two catalytic paths (nucleophilic and general base catalysis) is discussed, and proposals were made about the reaction mechanism.

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