3,4-DICHLOROPHENYL METHYL CARBINOL , CAS No.1475-11-2

CAS: 1475-11-2 Cat. No.: D167378 Summenformel: C₈H₈Cl₂O Molekulargewicht: 191.058 EG-Nummer: 216-017-3

Synonyms

1-(3,4-Dichlorophenyl)ethanol | 1-(3,4-dichlorophenyl)-ethanol | 3,4-Dichloro-alpha-methylbenzyl alcohol | MFCD00021865 | NSC55517 | A-836,339 | Z335245002 | SY005064 | J-008364 | EINECS 216-017-3 | CKA96312 | AMY20025 | 1-(3,4-Dichlorophenyl)ethanol # |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

1-(3,4-Dichlorophenyl)ethanol | 1-(3,4-dichlorophenyl)-ethanol | 3,4-Dichloro-alpha-methylbenzyl alcohol | MFCD00021865 | NSC55517 | A-836,339 | Z335245002 | SY005064 | J-008364 | EINECS 216-017-3 | CKA96312 | AMY20025 | 1-(3,4-Dichlorophenyl)ethanol # |

Storage

Room temperature

Verschickt in

Normal

Namen und Kennungen

• Kanonisches Lächeln: CC(C1=CC(=C(C=C1)Cl)Cl)O
• IUPAC Name: 1-(3,4-dichlorophenyl)ethanol
• InChIKey: VZTGSONNNMGQNQ-UHFFFAOYSA-N
• INCHI: 1S/C8H8Cl2O/c1-5(11)6-2-3-7(9)8(10)4-6/h2-5,11H,1H3
• Isomere SMILES: CC(C1=CC(=C(C=C1)Cl)Cl)O
• Molekulargewicht: 191.058
• Reaxy-Rn: 2555253
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2555253&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Ebene5 Chlorobenzenes
          • Ebene6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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: 1,2-dichlorobenzene - Aryl halide - Aryl chloride - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Organochloride - Organohalogen compound - Alcohol - Aromatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 191.050 g/mol
• XLogP3: 3.300
• 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