2-클로로-6-(디플루오로메톡시)피리딘 - ≥96% , CAS No.1214377-45-3

CAS: 1214377-45-3 Cat. No.: C190145 분자식: C₆H₄ClF₂NO 분자량: 179.55 EC 번호: 984-837-5

GRADE & PURITY ≥96%

Synonyms

2-chloro-6-(difluoromethoxy)pyridine|1214377-45-3|Pyridine, 2-chloro-6-(difluoromethoxy)-|SCHEMBL363302|DTXSID90744663|MFCD13185850|AKOS016845353|DS-6951|EN300-6731728|A891700|J-508900

Storage

Room temperature

Shipped In

보통

Specifications

동의어

2-chloro-6-(difluoromethoxy)pyridine | 1214377-45-3 | Pyridine, 2-chloro-6-(difluoromethoxy)- | SCHEMBL363302 | DTXSID90744663 | MFCD13185850 | AKOS016845353 | DS-6951 | EN300-6731728 | A891700 | J-508900

사양 및 순도

≥96%

보관 조건

Room temperature

배송

보통

순수함

≥96%

이름과 식별자

정식 스마일

C1=CC(=NC(=C1)Cl)OC(F)F

IUPAC Name

2-chloro-6-(difluoromethoxy)pyridine

InChIKey

MQNNYHKAEYWADV-UHFFFAOYSA-N

INCHI

1S/C6H4ClF2NO/c7-4-2-1-3-5(10-4)11-6(8)9/h1-3,6H

이성체 SMILES

C1=CC(=NC(=C1)Cl)OC(F)F

분자량

179.55

Reaxy-Rn

22820708

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22820708&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-halopyridines
• Alternative Parents: Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-halopyridine - Aryl chloride - Aryl halide - Heteroaromatic compound - Azacycle - Alkyl fluoride - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteromonocyclic compound
• 설명: 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

화학 및 물리적 특성

• 분자량: 179.550 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 178.995 Da
• Monoisotopic Mass: 178.995 Da
• Topological Polar Surface Area: 22.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 125.000
• 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