1-(2,5-Dichlorophenyl)ethanol - ≥97% , CAS No.1475-12-3

CAS: 1475-12-3 Cat. No.: D122834 Formule: C₈H₈Cl₂O Poids moléculaire: 191.058 Numéro CE: 216-018-9

GRADE & PURITY ≥97%

Synonyms

EN300-49770 | AKOS000249163 | 1-(2,5-dichlorophenyl)ethan-1-ol | NSC 157362 | Benzenemethanol, 2,5-dichloro-alpha-methyl- | 2,5-Dichloro-alpha-methylbenzyl alcohol | 1-(2,5-Dichlorophenyl)ethanol | 2,5-Dichloro-.alpha.-methylbenzyl alcohol | SY005061 | FT

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

EN300-49770 | AKOS000249163 | 1-(2,5-dichlorophenyl)ethan-1-ol | NSC 157362 | Benzenemethanol, 2,5-dichloro-alpha-methyl- | 2,5-Dichloro-alpha-methylbenzyl alcohol | 1-(2,5-Dichlorophenyl)ethanol | 2,5-Dichloro-.alpha.-methylbenzyl alcohol | SY005061 | FT

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

• Pubchem Sid: 504754657
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754657
• Sourires canoniques: CC(C1=C(C=CC(=C1)Cl)Cl)O
• IUPAC Name: 1-(2,5-dichlorophenyl)ethanol
• InChIKey: RDMKUSDLLGKMCK-UHFFFAOYSA-N
• INCHI: 1S/C8H8Cl2O/c1-5(11)7-4-6(9)2-3-8(7)10/h2-5,11H,1H3
• Isomères SMILES: CC(C1=C(C=CC(=C1)Cl)Cl)O
• Poids moléculaire: 191.058
• Reaxy-Rn: 2359129
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2359129&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Aryl chlorides Secondary alcohols Organochlorides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,4-dichlorobenzene - Aryl halide - Aryl chloride - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Organochloride - Organohalogen compound - Alcohol - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• 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

• Poids moléculaire: 191.050 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 189.995 Da
• Monoisotopic Mass: 189.995 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 129.000
• 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