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Home > Encyclopedia > 3-(METHYLSULFONYL)ANILINE

3-(METHYLSULFONYL)ANILINE

3-(METHYLSULFONYL)ANILINE structure

3-(METHYLSULFONYL)ANILINE 

structure
  • CAS No:

    35216-39-8

  • Formula:

    C7H9NO2S

  • Chemical Name:

    3-(METHYLSULFONYL)ANILINE

  • Synonyms:

    P-Toluene Suphonamide (PTSA);3-(Methylsulphonyl)aniline;3-Aminophenyl methyl sulphone;3-(methylsulfonyl)Benzenamine;m-(Methylsulfonyl)aniline;3-Aminophenyl methyl sulfone;3-Methylsulfonylphenylamine

  • Categories:

    Chemical Reagents  >  Organic Reagents

3-(METHYLSULFONYL)ANILINE Basic Attributes

171.22

171.03500

DTXSID60330234

2921420090

Characteristics

68.5

0.3

1.282g/cm3

72 °C

403.3°C at 760 mmHg

197.7ºC

1.57

Safety Information

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

H315

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 91 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-(METHYLSULFONYL)ANILINE Use and Manufacturing

General procedure: A mixture of Na150 mg (1.22 mmol, 1 eq.) of (3-methylmercapto)aniline are dissolved in 3 mL of chloroform. 420 mg (2.43 mmol, 2 eq.) of meta-chloroperbenzoic acid are added to this solution. The mixture is stirred for 1 hour 30 min. at 0 °C. A saturated NaHCO

Computed Properties

Molecular Weight:171.22
XLogP3:0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:171.03539970
Monoisotopic Mass:171.03539970
Topological Polar Surface Area:68.5
Heavy Atom Count:11
Complexity:217
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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