(S)-1-(3,5-Dichloropyridin-4-yl)ethanol - ≥97% , CAS No.1370347-50-4

CAS: 1370347-50-4 Cat. No.: S587087 Molecular Weight: 192.04 PubChem CID: 66831621

GRADE & PURITY ≥97%

Synonyms

(S)- 1 -(3,5-Dichloropyridin-4-yl)ethanol | (1S)-1-(3,5-Dichloropyridin-4-yl)ethan-1-ol | (S)-1-(3,5-Dichloropyridin-4-yl)ethanol | (1S)-1-(3,5-Dichloro-4-pyridinyl)ethanol | KCPDCYCCMCEYQN-BYPYZUCNSA-N | EN300-1966063 | F52522 | AKOS016008189 | DTXSID507

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

(S)- 1 -(3, 5-Dichloropyridin-4-yl)ethanol | (1S)-1-(3, 5-Dichloropyridin-4-yl)ethan-1-ol | (S)-1-(3, 5-Dichloropyridin-4-yl)ethanol | (1S)-1-(3, 5-Dichloro-4-pyridinyl)ethanol | KCPDCYCCMCEYQN-BYPYZUCNSA-N | EN300-1966063 | F52522 | AKOS016008189 | DTXSID507

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

• Canonical Smiles: CC(C1=C(C=NC=C1Cl)Cl)O
• IUPAC Name: (1S)-1-(3,5-dichloropyridin-4-yl)ethanol
• InChIKey: KCPDCYCCMCEYQN-BYPYZUCNSA-N
• INCHI: 1S/C7H7Cl2NO/c1-4(11)7-5(8)2-10-3-6(7)9/h2-4,11H,1H3/t4-/m0/s1
• Isomeric SMILES: C[C@@H](C1=C(C=NC=C1Cl)Cl)O
• Alternate CAS: 1370347-50-4
• PubChem CID: 66831621
• Molecular Weight: 192.04

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: Aryl chlorides Heteroaromatic compounds Secondary alcohols Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polyhalopyridine - Aryl chloride - Aryl halide - Heteroaromatic compound - Secondary alcohol - Azacycle - Hydrocarbon derivative - Aromatic alcohol - 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

• Molecular Weight: 192.040 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 190.99 Da
• Monoisotopic Mass: 190.99 Da
• Topological Polar Surface Area: 33.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 124.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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