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

CAS: 19819-95-5 Cat. No.: C135333 Formule: C₈H₉ClO Poids moléculaire: 156.61 Numéro CE: 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

Vue d’ensemble

It may be used in the chemical synthesis of amines.

Specifications

Synonymes

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

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

504755926

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755926

Sourires canoniques

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

Isomères SMILES

C1=CC=C(C(=C1)CCO)Cl

WGK Allemagne

3

Poids moléculaire

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
    • 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
• Description: 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

Propriétés chimiques et physiques

• Indice de réfraction: 1.55
• Point d'éclair (°F): >235.4 °F
• Point d'éclair (°C): >113 °C
• Point d'ébullition (°C): 130 °C/12.5 mmHg
• Poids moléculaire: 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