2-(3-Chlorophenyl)ethanol - ≥98%(GC) , CAS No.5182-44-5

CAS: 5182-44-5 Cat. No.: C153312 Fórmula: C₈H₉ClO Peso molecular: 156.61 Beilstein Registry Number: 2042060 Número CE: 225-964-1

GRADE & PURITY ≥98%(GC)

Synonyms

3-Chlorophenethyl alcohol | SY005019 | InChI=1/C8H9ClO/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6,10H,4-5H | 3-chlorobenzeneethanol | AKOS009156872 | EINECS 225-964-1 | EN300-74915 | W-105865 | TS-02082 | Z992289382 | SCHEMBL625264 | 3-Chlorophenethyl alcohol, 98% |

Storage

Room temperature

Shipped In

Normal

Visão geral

3-Chlorophenethyl alcohol undergoes coupling reaction with dibutylamine.

Specifications

Sinónimos

3-Chlorophenethyl alcohol | SY005019 | InChI=1/C8H9ClO/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6,10H,4-5H | 3-chlorobenzeneethanol | AKOS009156872 | EINECS 225-964-1 | EN300-74915 | W-105865 | TS-02082 | Z992289382 | SCHEMBL625264 | 3-Chlorophenethyl alcohol, 98% |

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%(GC)

Nomes e identificadores

• Pubchem Sid: 488185630
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185630
• Sorrisos canónicos: C1=CC(=CC(=C1)Cl)CCO
• IUPAC Name: 2-(3-chlorophenyl)ethanol
• InChIKey: NDWAVJKRSASRPH-UHFFFAOYSA-N
• INCHI: 1S/C8H9ClO/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6,10H,4-5H2
• SMILES isoméricas: C1=CC(=CC(=C1)Cl)CCO
• WGK Alemanha: 3
• Peso molecular: 156.61
• Beilstein: 2042060
• Reaxy-Rn: 2042059
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2042059&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorobenzenes
• Alternative Parents: Aryl chlorides Primary alcohols Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Chlorobenzene - Aryl halide - Aryl chloride - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organochloride - Organohalogen compound - Alcohol - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
• 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

Propriedades químicas e físicas

• Índice de refração: 1.549
• Ponto de inflamação (°F): 230 °F
• Ponto de inflamação (°C): 110 °C
• Ponto de ebulição (°C): 135-137°C
• Peso molecular: 156.610 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 156.034 Da
• Monoisotopic Mass: 156.034 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 95.300
• 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