4-Chloropyridine hydrochloride - ≥99% , CAS No.7379-35-3

CAS: 7379-35-3 Cat. No.: C118400 Molecular Weight: 150.01 EC Number: 230-946-1 PubChem CID: 81852

GRADE & PURITY ≥99%

Synonyms

4chloropyridine hydrochloride | 4-Chloropyridine hydrochloride | 4-chloro-pyridine hydrochloride | Pyridine, 4-chloro-, hydrochloride | 4-chloropyridine.hydrochloride | 4-chloropyridine-HCl | NSC 78418 | NSC78418 | NSC-78418 | 4-chloropyridine;hydrochlori

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

4chloropyridine hydrochloride | 4-Chloropyridine hydrochloride | 4-chloro-pyridine hydrochloride | Pyridine, 4-chloro-, hydrochloride | 4-chloropyridine.hydrochloride | 4-chloropyridine-HCl | NSC 78418 | NSC78418 | NSC-78418 | 4-chloropyridine;hydrochlori

Specifications & Purity

≥99%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Canonical Smiles: C1=CN=CC=C1Cl.Cl
• IUPAC Name: 4-chloropyridine;hydrochloride
• InChIKey: XGAFCCUNHIMIRV-UHFFFAOYSA-N
• INCHI: 1S/C5H4ClN.ClH/c6-5-1-3-7-4-2-5;/h1-4H;1H
• Isomeric SMILES: C1=CN=CC=C1Cl.Cl
• WGK Germany: 3
• PubChem CID: 81852
• Molecular Weight: 150.01
• Reaxy-Rn: 3680349

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
• 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.
• Sensitivity: Moisture sensitive
• Flash Point(°F): 388.4 °F
• Flash Point(°C): 198 °C
• Melt Point(°C): 210°C
• Molecular Weight: 150.000 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 148.98 Da
• Monoisotopic Mass: 148.98 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 50.000
• 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: 2

XLogP3

References

1. Zhang Tiantian, Li Bin, Zhang Xiaoli, Wang Jiao, Wei Longhui, Zhao Binxia, Li Binglin.  (2020)  4-Dimethylaminopyridine grafted on MCM-41 as an efficient and highly stable catalyst for the production of α-tocopherol acetate.  JOURNAL OF POROUS MATERIALS,  27  (6): (1639-1648).  [PMID:] [10.1007/s10934-020-00939-4]