4-Pyridinemethanol - ≥97% , CAS No.586-95-8

CAS: 586-95-8 Cat. No.: P107414 Molecular Weight: 109.13 Beilstein Registry Number: 107850 EC Number: 209-590-6

GRADE & PURITY ≥97%

Synonyms

F0001-1532 | AKOS000248904 | pyridin-4-ylmethanol;Pyridine-4-methanol | PYRIDINE 4-METHANOL | 4-pyridyl methanol | AM804088 | W-105366 | 4-Pyridinecarbinol | FT-0619452 | 4-Pyridylcarbinol | 4-pyridyl-carbinol | 4-HYDROMETHYL PYRIDINE | 4-PYRIDINEMETHANOL

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

F0001-1532 | AKOS000248904 | pyridin-4-ylmethanol;Pyridine-4-methanol | PYRIDINE 4-METHANOL | 4-pyridyl methanol | AM804088 | W-105366 | 4-Pyridinecarbinol | FT-0619452 | 4-Pyridylcarbinol | 4-pyridyl-carbinol | 4-HYDROMETHYL PYRIDINE | 4-PYRIDINEMETHANOL

Specifications & Purity

≥97%

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

≥97%

Names and Identifiers

• Pubchem Sid: 504752133
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752133
• Canonical Smiles: C1=CN=CC=C1CO
• IUPAC Name: pyridin-4-ylmethanol
• InChIKey: PTMBWNZJOQBTBK-UHFFFAOYSA-N
• INCHI: 1S/C6H7NO/c8-5-6-1-3-7-4-2-6/h1-4,8H,5H2
• Isomeric SMILES: C1=CN=CC=C1CO
• WGK Germany: 3
• RTECS: UT4691000
• Molecular Weight: 109.13
• Beilstein: 107850
• Reaxy-Rn: 107850
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107850&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
• 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

Associated Targets(non-human)

Rattus norvegicus (775804 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Moisture sensitive.
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Boil Point(°C): 141℃/12mm
• Melt Point(°C): 55°C
• Molecular Weight: 109.130 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 109.053 Da
• Monoisotopic Mass: 109.053 Da
• Topological Polar Surface Area: 33.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 59.500
• 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. Lei Yuan, Hongshuai Gao, Haiyan Jiang, Shaojuan Zeng, Tao Li, Baozeng Ren, Xiangping Zhang.  (2020)  Experimental and thermodynamic analysis of NH3 absorption in dual-functionalized pyridinium-based ionic liquids.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2020.114601]

2. Meng Li, Zhi Li, Qianqian Wang, Yihang He, Yixuanfei Gao, Chun Wang, Zhi Wang, Qiuhua Wu.  (2024)  Developing a novel pyridine-based ionic porous organic polymer with functional group for highly efficient extraction of phenolic endocrine disruptors in natural water and tilapia fish.  FOOD CHEMISTRY,      [PMID:39556899] [10.1016/j.foodchem.2024.142060]