Cas no 926206-21-5 (3-Methyl-2-(methylsulfonamido)benzoic acid)

3-Methyl-2-(methylsulfonamido)benzoic acid structure
926206-21-5 structure
Product Name:3-Methyl-2-(methylsulfonamido)benzoic acid
CAS No:926206-21-5
MF:C9H11NO4S
MW:229.25294137001
MDL:MFCD09045450
CID:1056684
PubChem ID:16773117
Update Time:2024-10-26

3-Methyl-2-(methylsulfonamido)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Methyl-2-(methylsulfonamido)benzoic acid
    • 3-methyl-2-[(methylsulfonyl)amino]Benzoic acid
    • 3-Methyl-2-[(methylsulfonyl)amino]benzoic acid (ACI)
    • 2-Methanesulfonamido-3-methylbenzoic acid
    • AKOS000129157
    • 3-Methyl-2-(methylsulfonamido)benzoicacid
    • 2-(methanesulfonamido)-3-methylbenzoic acid
    • BMB20621
    • BS-50518
    • SY014998
    • DB-079356
    • AC7597
    • CS-0186841
    • 926206-21-5
    • MFCD09045450
    • MDL： MFCD09045450
    • Inchi： 1S/C9H11NO4S/c1-6-4-3-5-7(9(11)12)8(6)10-15(2,13)14/h3-5,10H,1-2H3,(H,11,12)
    • InChI Key： KRQNVHVGWIKBIE-UHFFFAOYSA-N
    • SMILES： O=C(C1C(NS(C)(=O)=O)=C(C)C=CC=1)O

Computed Properties

  • Exact Mass: 229.04100
  • Monoisotopic Mass: 229.04087901g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 333
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.3
  • Topological Polar Surface Area: 91.8?2

Experimental Properties

  • Color/Form: No data available
  • Density: 1.4±0.1 g/cm3
  • Melting Point: No data available
  • Boiling Point: 395.1±52.0 °C at 760 mmHg
  • Flash Point: 192.8±30.7 °C
  • PSA: 91.85000
  • LogP: 2.21850
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

3-Methyl-2-(methylsulfonamido)benzoic acid Security Information

3-Methyl-2-(methylsulfonamido)benzoic acid Customs Data

  • HS CODE：2935009090
  • Customs Data：

    China Customs Code:

    2935009090

    Overview:

    2935009090 Other sulphonates(Acyl)amine. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:35.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0%

3-Methyl-2-(methylsulfonamido)benzoic acid Pricemore >>

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3-Methyl-2-(methylsulfonamido)benzoic acid Production Method

Production Method 1

Reaction Conditions
Reference
Construction of Divergent Fused Heterocycles via an Acid-Promoted Intramolecular ipso-Friedel-Crafts Alkylation of Phenol Derivatives
Yokosaka, Takuya; Shiga, Naoki; Nemoto, Tetsuhiro; Hamada, Yasumasa, Journal of Organic Chemistry, 2014, 79(9), 3866-3875

3-Methyl-2-(methylsulfonamido)benzoic acid Preparation Products

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