1-(2-Chlorpyridin-3-yl)ethanol - ≥96% , CAS No.131674-39-0

CAS: 131674-39-0 Cat. No.: C190549 Summenformel: C₇H₈ClNO Molekulargewicht: 157.6

GRADE & PURITY ≥96%

Synonyms

1-(2-chloropyridin-3-yl)ethanol|131674-39-0|1-(2-Chloropyridin-3-yl)ethan-1-ol|3-Pyridinemethanol, 2-chloro-alpha-methyl-|SCHEMBL998722|DTXSID50563054|FVMGQROBOUHKQO-UHFFFAOYSA-N|MFCD16037360|AKOS016000409|DS-5399|SB52373|FT-0686187|W18332|A888389

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

1-(2-chloropyridin-3-yl)ethanol | 131674-39-0 | 1-(2-Chloropyridin-3-yl)ethan-1-ol | 3-Pyridinemethanol, 2-chloro-alpha-methyl- | SCHEMBL998722 | DTXSID50563054 | FVMGQROBOUHKQO-UHFFFAOYSA-N | MFCD16037360 | AKOS016000409 | DS-5399 | SB52373 | FT-0686187 | W18332 | A888389

Spezifikationen & Reinheit

≥96%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥96%

Namen und Kennungen

Kanonisches Lächeln

CC(C1=C(N=CC=C1)Cl)O

IUPAC Name

1-(2-chloropyridin-3-yl)ethanol

InChIKey

FVMGQROBOUHKQO-UHFFFAOYSA-N

INCHI

1S/C7H8ClNO/c1-5(10)6-3-2-4-9-7(6)8/h2-5,10H,1H3

Isomere SMILES

CC(C1=C(N=CC=C1)Cl)O

Molekulargewicht

157.6

Reaxy-Rn

4291732

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4291732&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-halopyridines
• Alternative Parents: Aryl chlorides Heteroaromatic compounds Secondary alcohols Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-halopyridine - Aryl chloride - Aryl halide - Heteroaromatic compound - Secondary alcohol - Azacycle - Alcohol - Aromatic alcohol - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 157.600 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 157.029 Da
• Monoisotopic Mass: 157.029 Da
• Topological Polar Surface Area: 33.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 110.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1