2,6-Dichloro-4-pyridinemethanol - ≥98% , CAS No.101990-69-6

CAS: 101990-69-6 Cat. No.: D154209 Molecular Weight: 178.01 EC Number: 641-206-6

GRADE & PURITY ≥98%

Synonyms

2,6-dichloropyridin-4-methanol | EN300-1968048 | (2,6-dichloro-4-pyridyl)methanol | SY032402 | 2,6-dichloro-4-pyridinyl methanol | (2,6-dichloro-pyridin-4-yl)methanol | (2,6-Dichloro-pyridin-4-yl)-methanol | (2,6-dichloropyridin-4-yl)methanol | BBL101567

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

2, 6-dichloropyridin-4-methanol | EN300-1968048 | (2, 6-dichloro-4-pyridyl)methanol | SY032402 | 2, 6-dichloro-4-pyridinyl methanol | (2, 6-dichloro-pyridin-4-yl)methanol | (2, 6-Dichloro-pyridin-4-yl)-methanol | (2, 6-dichloropyridin-4-yl)methanol | BBL101567

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504762151
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762151
• Canonical Smiles: C1=C(C=C(N=C1Cl)Cl)CO
• IUPAC Name: (2,6-dichloropyridin-4-yl)methanol
• InChIKey: YDGJTFCKLFLWFM-UHFFFAOYSA-N
• INCHI: 1S/C6H5Cl2NO/c7-5-1-4(3-10)2-6(8)9-5/h1-2,10H,3H2
• Isomeric SMILES: C1=C(C=C(N=C1Cl)Cl)CO
• Molecular Weight: 178.01
• Reaxy-Rn: 120980
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=120980&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: Polyhalopyridines
• Alternative Parents: 2-halopyridines Aryl chlorides Heteroaromatic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polyhalopyridine - 2-halopyridine - Aryl chloride - Aryl halide - Heteroaromatic compound - Azacycle - Alcohol - Hydrocarbon derivative - Organopnictogen compound - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as polyhalopyridines. These are organic compounds containing a pyridine ring substituted at two or more positions 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

Chemical and Physical Properties

• Solubility: Soluble in Methanol
• Sensitivity: Air Sensitive
• Melt Point(°C): 136 °C
• Molecular Weight: 178.010 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 176.975 Da
• Monoisotopic Mass: 176.975 Da
• Topological Polar Surface Area: 33.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 102.000
• 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