2-Chloro-3-(trifluoromethyl)pyridine - ≥98% , CAS No.65753-47-1

CAS: 65753-47-1 Cat. No.: C112822 Molecular Weight: 181.54 EC Number: 424-520-6

GRADE & PURITY ≥98%

Synonyms

A1-00487 | DB01380 | 2-Chloro-3-(trifluoromethyl)pyridine, 97% | STL373470 | 2-chloro-3-trifiuoromethylpyridine | 2-Chloro-3-trifluoro methylpyridine | C1193 | 17-Hydroxycorticosterone-21-acetate | 2-Chloro-3-trifluoromethylpyridine | 2-chloro-3-trifluoro

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

2-Chloro-3-(trifluoromethyl)pyridine is a trifluoromethyl-substituted pyridine derivative.

2-Chloro-3-(trifluoromethyl)pyridine may be used in the preparation of 5,5′-bis(trifluoromethyl)-2,2′-bipyridine, via modified Ullmann reaction.

Specifications

Synonyms

A1-00487 | DB01380 | 2-Chloro-3-(trifluoromethyl)pyridine, 97% | STL373470 | 2-chloro-3-trifiuoromethylpyridine | 2-Chloro-3-trifluoro methylpyridine | C1193 | 17-Hydroxycorticosterone-21-acetate | 2-Chloro-3-trifluoromethylpyridine | 2-chloro-3-trifluoro

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504759404
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759404
• Canonical Smiles: C1=CC(=C(N=C1)Cl)C(F)(F)F
• IUPAC Name: 2-chloro-3-(trifluoromethyl)pyridine
• InChIKey: RXATZPCCMYMPME-UHFFFAOYSA-N
• INCHI: 1S/C6H3ClF3N/c7-5-4(6(8,9)10)2-1-3-11-5/h1-3H
• Isomeric SMILES: C1=CC(=C(N=C1)Cl)C(F)(F)F
• WGK Germany: 3
• Molecular Weight: 181.54
• Reaxy-Rn: 4179716
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4179716&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-halopyridines
• Alternative Parents: Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-halopyridine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2-halopyridines. These are organic compounds containing a pyridine ring substituted at the 2-position by a halogen atom.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in Methanol
• Sensitivity: Moisture & air sensitive.
• Flash Point(°F): 82 °C
• Flash Point(°C): 82°C
• Boil Point(°C): 76°C/30mmHg
• Melt Point(°C): 39°C
• Molecular Weight: 181.540 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 180.991 Da
• Monoisotopic Mass: 180.991 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 136.000
• 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