3-Pyridinesulfonic acid - ≥98% , CAS No.636-73-7

CAS: 636-73-7 Cat. No.: P106151 Peso molecular: 159.16 Beilstein Registry Number: 120822 Número EC: 211-265-9

GRADE & PURITY ≥98%

Synonyms

3-Pyridinesulfonic acid, 98% | Pyridine-3-sulphonic acid | 3-Pyridinesulfonic acid, >=98.0% (T) | 5-22-07-00552 (Beilstein Handbook Reference) | AI3-52418 | DTXSID60212980 | FG-0460 | pyridine-3-sulfonicacid | Q1682463 | EN300-19812 | pyridine-3-sulfonic

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

3-Pyridinesulfonic acid, 98% | Pyridine-3-sulphonic acid | 3-Pyridinesulfonic acid, >=98.0% (T) | 5-22-07-00552 (Beilstein Handbook Reference) | AI3-52418 | DTXSID60212980 | FG-0460 | pyridine-3-sulfonicacid | Q1682463 | EN300-19812 | pyridine-3-sulfonic

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=CN=C1)S(=O)(=O)O
• IUPAC Name: pyridine-3-sulfonic acid
• InChIKey: DVECLMOWYVDJRM-UHFFFAOYSA-N
• INCHI: 1S/C5H5NO3S/c7-10(8,9)5-2-1-3-6-4-5/h1-4H,(H,7,8,9)
• Isómeros SMILES: C1=CC(=CN=C1)S(=O)(=O)O
• WGK Alemania: 3
• RTECS: UT7920000
• Número ONU: 2585
• Peso molecular: 159.16
• Beilstein: 120822
• Reaxy-Rn: 120822
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=120822&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives
        • Level5 Arylsulfonic acids and derivatives
          • Level6 Arylsufonic acids
            • Level7 1-sulfo,2-unsubstituted aromatic compounds

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Arylsulfonic acids and derivatives - Arylsufonic acids
• Direct Parent: 1-sulfo,2-unsubstituted aromatic compounds
• Alternative Parents: Pyridines and derivatives Sulfonyls Organosulfonic acids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1-sulfo,2-unsubstituted aromatic compound - Pyridine - Heteroaromatic compound - Sulfonyl - Organosulfonic acid - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1-sulfo,2-unsubstituted aromatic compounds. These are an arylsulfonic acid carrying the sulfonic acid group at the 1-position, and no substitute at the 2-position of the aromatic ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in methanol. Very slightly soluble in ethanol. Insoluble in ether
• Sensibilidad: Hygroscopic
• Punto de fusión (°C): >300°C
• Peso molecular: 159.170 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 158.999 Da
• Monoisotopic Mass: 158.999 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 193.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Shan-Shan Liu, Zhen Han, Jin-Sen Yang, Sheng-Zheng Huang, Xi-Yan Dong, Shuang-Quan Zang.  (2019)  Sulfonic Groups Lined along Channels of Metal–Organic Frameworks (MOFs) for Super-Proton Conductor.  INORGANIC CHEMISTRY,      [PMID:31851507] [10.1021/acs.inorgchem.9b02649]