3-Chloro-2-methoxy-5-(trifluoromethyl)pyridine - ≥98% , CAS No.175136-17-1

CAS: 175136-17-1 Cat. No.: C191559 Molecular Weight: 211.57 EC Number: 640-906-9

GRADE & PURITY ≥98%

Synonyms

AC-24943 | AM86697 | BBL100818 | PYRIDINE, 3-CHLORO-2-METHOXY-5-(TRIFLUOROMETHYL)- | MFCD00153096 | PS-6441 | SCHEMBL769495 | 3-Chloro-5-(trifluoromethyl)-2-methoxypyridine | STL554612 | A3870 | SY019210 | ZRRBUQUZQJTWRO-UHFFFAOYSA-N | 2-methoxy-3-chloro-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

AC-24943 | AM86697 | BBL100818 | PYRIDINE, 3-CHLORO-2-METHOXY-5-(TRIFLUOROMETHYL)- | MFCD00153096 | PS-6441 | SCHEMBL769495 | 3-Chloro-5-(trifluoromethyl)-2-methoxypyridine | STL554612 | A3870 | SY019210 | ZRRBUQUZQJTWRO-UHFFFAOYSA-N | 2-methoxy-3-chloro-

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: COC1=C(C=C(C=N1)C(F)(F)F)Cl
• IUPAC Name: 3-chloro-2-methoxy-5-(trifluoromethyl)pyridine
• InChIKey: ZRRBUQUZQJTWRO-UHFFFAOYSA-N
• INCHI: 1S/C7H5ClF3NO/c1-13-6-5(8)2-4(3-12-6)7(9,10)11/h2-3H,1H3
• Isomeric SMILES: COC1=C(C=C(C=N1)C(F)(F)F)Cl
• Molecular Weight: 211.57
• Reaxy-Rn: 7529741
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7529741&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkyl aryl ethers
• Alternative Parents: Pyridines and derivatives Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl aryl ether - Aryl chloride - Aryl halide - Pyridine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Alkyl halide - Organic nitrogen compound - Alkyl fluoride - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group.
• 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

• Molecular Weight: 211.570 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 211.001 Da
• Monoisotopic Mass: 211.001 Da
• Topological Polar Surface Area: 22.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 176.000
• 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