2-Chlorophenethyl alcohol - ≥98%(GC) , CAS No.19819-95-5

CAS: 19819-95-5 Cat. No.: C135333 Peso molecular: 156.61 Número EC: 243-348-0

GRADE & PURITY ≥98%(GC)

Synonyms

2-(2-Chlorophenyl)ethanol | 2-(2-chloro-phenyl)-ethanol | METHYL4,6-DICHLORO-QUINOLINE-2-CARBOXYLATE | A853221 | o-Chlorophenethyl alcohol | IWNHTCBFRSCBQK-UHFFFAOYSA- | chlorobenzene-ethanol | EN300-1252139 | EINECS 243-348-0 | 2-Chlorobenzeneethanol | M

Storage

Room temperature

Shipped In

Normal

Descripción general

It may be used in the chemical synthesis of amines.

Specifications

Sinónimos

2-(2-Chlorophenyl)ethanol | 2-(2-chloro-phenyl)-ethanol | METHYL4, 6-DICHLORO-QUINOLINE-2-CARBOXYLATE | A853221 | o-Chlorophenethyl alcohol | IWNHTCBFRSCBQK-UHFFFAOYSA- | chlorobenzene-ethanol | EN300-1252139 | EINECS 243-348-0 | 2-Chlorobenzeneethanol | M

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 504755926
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755926
• Sonrisas canónicas: C1=CC=C(C(=C1)CCO)Cl
• IUPAC Name: 2-(2-chlorophenyl)ethanol
• InChIKey: IWNHTCBFRSCBQK-UHFFFAOYSA-N
• INCHI: 1S/C8H9ClO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,10H,5-6H2
• Isómeros SMILES: C1=CC=C(C(=C1)CCO)Cl
• WGK Alemania: 3
• Peso molecular: 156.61
• Reaxy-Rn: 2082354
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2082354&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Índice de refracción: 1.55
• Punto de inflamación (°F): >235.4 °F
• Punto de inflamación (°C): >113 °C
• Punto de ebullición (°C): 130 °C/12.5 mmHg
• Peso molecular: 156.610 g/mol
• XLogP3: 2.100
• 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