Cas no 7311-93-5 (3-(Piperidine-1-sulfonyl)benzoic acid)

3-(Piperidine-1-sulfonyl)benzoic acid structure
7311-93-5 structure
Product Name:3-(Piperidine-1-sulfonyl)benzoic acid
CAS No:7311-93-5
MF:C12H15NO4S
MW:269.31680226326
MDL:MFCD00760901
CID:566791
PubChem ID:767889
Update Time:2025-04-19

3-(Piperidine-1-sulfonyl)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-(Piperidin-1-ylsulfonyl)benzoic acid
    • 3-(PIPERIDIN-1-YLSULPHONYL)BENZOIC ACID
    • 3-(Piperidinosulfonyl)benzenecarboxylic acid
    • 3-piperidin-1-ylsulfonylbenzoic acid
    • Benzoic acid,3-(1-piperidinylsulfonyl)-
    • 3-(Piperidine-1-sulfonyl)benzoic acid
    • 3-(Piperidine-1-sulfonyl)-benzoic acid
    • Oprea1_803406
    • 3-(piperidylsulfonyl)benzoic acid
    • QRFCJPBEPZZXEE-UHFFFAOYSA-N
    • HMS1580G10
    • 3-(piperidinosulfonyl)benzoic acid
    • 3-(1-piperidylsulfonyl)benzoic acid
    • piperidinosulfonylbenzenecarboxylicacid
    • MFCD00760901
    • 3-(PIPERIDINE-1-SULFONYL)-BENZOICACID
    • FT-0681141
    • KA-0725
    • 3-(1-piperidinylsulfonyl)benzoic acid
    • 3-(Piperidin-1-ylsulfonyl)benzoicacid
    • SCHEMBL1001537
    • AB00080329-01
    • DTXSID90354281
    • SR-01000399033-1
    • AG-205/06468016
    • F2169-0637
    • Z53033932
    • AKOS000114632
    • SB43147
    • SR-01000399033
    • SY081477
    • EN300-00277
    • D71196
    • A866141
    • EU-0001412
    • CS-0155255
    • 7311-93-5
    • BB 0237871
    • ALBB-029701
    • Benzoic acid, 3-(1-piperidinylsulfonyl)-
    • MDL: MFCD00760901
    • Inchi: 1S/C12H15NO4S/c14-12(15)10-5-4-6-11(9-10)18(16,17)13-7-2-1-3-8-13/h4-6,9H,1-3,7-8H2,(H,14,15)
    • InChI Key: QRFCJPBEPZZXEE-UHFFFAOYSA-N
    • SMILES: S(C1C=CC=C(C(=O)O)C=1)(N1CCCCC1)(=O)=O

Computed Properties

  • Exact Mass: 269.07200
  • Monoisotopic Mass: 269.07217913g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 395
  • 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
  • Topological Polar Surface Area: 83.1
  • XLogP3: 1.4

Experimental Properties

  • Density: 1.364
  • Melting Point: 179-181
  • Boiling Point: 477.6°C at 760 mmHg
  • Flash Point: 242.7°C
  • PSA: 83.06000
  • LogP: 2.57810

3-(Piperidine-1-sulfonyl)benzoic acid Security Information

  • Signal Word:Warning
  • Hazard Statement: H302-H315-H319-H335
  • Warning Statement: P261-P305+P351+P338
  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT
  • Storage Condition:Sealed in dry,Room Temperature

3-(Piperidine-1-sulfonyl)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-(Piperidine-1-sulfonyl)benzoic acid Pricemore >>

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