Pyridine hydrochloride - ≥98% , CAS No.628-13-7

CAS: 628-13-7 Cat. No.: P105950 Molecular Weight: 115.56 Beilstein Registry Number: 3615340 EC Number: 211-027-4

GRADE & PURITY ≥98%

Synonyms

Pyridinehydrochloride | Pyridinium chloride | Pyridine, hydrochloride | DTXSID6027262 | pyridine-hcl | Pyridine, hydrochloride (1:1) | MFCD00012802 | C5H6ClN | pyridine;hydrochloride | Pyridine HCl | pyridiniumchloride | Pyridinium monochloride

Storage

Room temperature,Argon charged,Desiccated,Cool

Shipped In

Normal

Overview

Pyridine hydrochloride is an acidic type demethylating agent used as a catalyst in deprotection of aromatic methyl ethers.

Application

Pyridine hydrochloride (pyridine hydrochloride) was used in the demethylation of 4,5-dimethyl-7-methoxy-1-tetralone.

Specifications

Synonyms

Pyridinehydrochloride | Pyridinium chloride | Pyridine, hydrochloride | DTXSID6027262 | pyridine-hcl | Pyridine, hydrochloride (1:1) | MFCD00012802 | C5H6ClN | pyridine;hydrochloride | Pyridine HCl | pyridiniumchloride | Pyridinium monochloride

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged, Desiccated, Cool

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC=NC=C1.Cl
• IUPAC Name: pyridine;hydrochloride
• InChIKey: AOJFQRQNPXYVLM-UHFFFAOYSA-N
• INCHI: 1S/C5H5N.ClH/c1-2-4-6-5-3-1;/h1-5H;1H
• Isomeric SMILES: C1=CC=NC=C1.Cl
• WGK Germany: 3
• RTECS: UT4375000
• Molecular Weight: 115.56
• Beilstein: 3615340
• Reaxy-Rn: 3615340
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3615340&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Pyridinium derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Pyridinium derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinium derivatives
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridinium - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridinium derivatives. These are compounds containing a pyridinium ring, which is the cationic form of pyridine.
• 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

Chemical and Physical Properties

• Solubility: Soluble in water (85 g/100 ml) and methanol.
• Sensitivity: Hygroscopic
• Boil Point(°C): 222-224°C
• Melt Point(°C): 140-146°C
• Molecular Weight: 115.560 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 115.019 Da
• Monoisotopic Mass: 115.019 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 30.900
• 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: 2

XLogP3

References

1. Ying You, Chen Song, Yinghuan Fu, Yujiao Sun, Chengrong Wen, Beiwei Zhu, Shuang Song.  (2024)  Structure-activity relationship of Caulerpa lentillifera polysaccharide in inhibiting lipid digestion.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:38228205] [10.1016/j.ijbiomac.2024.129435]

2. Bo Yang, Suqiong Yan, Shirong Ban, Wei Huang.  (2025)  Dual-Ring-Locking Strategy Enables Persistent Blue Room Temperature Phosphorescence in Benzo[b]phospholiums.  INORGANIC CHEMISTRY,      [PMID:40101244] [10.1021/acs.inorgchem.4c05315]

3. Gang Tang, Yani Zhang, Feilong Wang, Zhenfeng Cheng, Haojie Shi, Tiwen Xu, Xiuyu Liu, Xin Wang.  (2025)  Intrinsically anti-flammable and highly heat-resistant deoxybenzoin-derived bismaleimide resins containing no conventional flame-retardant elements.  POLYMER,      [PMID:] [10.1016/j.polymer.2025.129497]