6-Chloro-3-pyridinemethanol - ≥98%(GC) , CAS No.21543-49-7

CAS: 21543-49-7 Cat. No.: C154056 Molecular Weight: 143.57 Beilstein Registry Number: 21(5)2,183 EC Number: 628-017-4

GRADE & PURITY ≥98%(GC)

Synonyms

FT-0621092 | (6-Chloro-3-pyridinyl)methanol | (6-chloropyridin-3-yl)methanol | 6-chloro-pyridine-3-methanol | 6-Chloropyridine-3-methanol | 6-chloro-3-pyridinecarbinol | 6-chloro-3-pyridine-carbinol | 2-Chloro-5-pyridinemethanol | 6-Chloro-3-pyridinemetha

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

FT-0621092 | (6-Chloro-3-pyridinyl)methanol | (6-chloropyridin-3-yl)methanol | 6-chloro-pyridine-3-methanol | 6-Chloropyridine-3-methanol | 6-chloro-3-pyridinecarbinol | 6-chloro-3-pyridine-carbinol | 2-Chloro-5-pyridinemethanol | 6-Chloro-3-pyridinemetha

Specifications & Purity

≥98%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Canonical Smiles: C1=CC(=NC=C1CO)Cl
• IUPAC Name: (6-chloropyridin-3-yl)methanol
• InChIKey: GOXYBEXWMJZLJB-UHFFFAOYSA-N
• INCHI: 1S/C6H6ClNO/c7-6-2-1-5(4-9)3-8-6/h1-3,9H,4H2
• Isomeric SMILES: C1=CC(=NC=C1CO)Cl
• WGK Germany: 3
• Molecular Weight: 143.57
• Beilstein: 21(5)2,183
• Reaxy-Rn: 1525126
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1525126&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 Primary alcohols Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 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 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

Chemical and Physical Properties

• Solubility: Solubility in Methanol
• Sensitivity: Air Sensitive
• Melt Point(°C): 54 °C
• Molecular Weight: 143.570 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 143.014 Da
• Monoisotopic Mass: 143.014 Da
• Topological Polar Surface Area: 33.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 89.100
• 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

References

1. Shi Zhoukun, Dong Weiliang, Xin Fengxue, Liu Jiawei, Zhou Xinhai, Xu Fanli, Lv Ziyao, Ma Jiangfeng, Zhang Wenming, Fang Yan, Jiang Min.  (2018)  Characteristics and metabolic pathway of acetamiprid biodegradation by Fusarium sp. strain CS-3 isolated from soil.  BIODEGRADATION,  29  (6): (593-603).  [PMID:30259232] [10.1007/s10532-018-9855-8]