alcohol 3-cloro-2,6-difluorobencílico - ≥98% , CAS No.252004-35-6

CAS: 252004-35-6 Cat. No.: C183155 Peso molecular: 178.6 Número EC: 670-780-0

GRADE & PURITY ≥98%

Synonyms

AKOS006228381 | AT13644 | SY061844 | 3-CHLORO-2,6-DIFLUOROBENZYLALCOHOL | 3-Chloro-2,6-difluorobenzyl alcohol Link | MFCD01631325 | SCHEMBL616685 | EN300-1983904 | (3-chloro-2,6-difluorophenyl)methanol | 3-Chloro-2,6-difluorobenzyl alcohol | benzenemethan

Storage

Temperatura ambiente

Shipped In

Normal

Specifications

Sinónimos

AKOS006228381 | AT13644 | SY061844 | 3-CHLORO-2, 6-DIFLUOROBENZYLALCOHOL | 3-Chloro-2, 6-difluorobenzyl alcohol Link | MFCD01631325 | SCHEMBL616685 | EN300-1983904 | (3-chloro-2, 6-difluorophenyl)methanol | 3-Chloro-2, 6-difluorobenzyl alcohol | benzenemethan

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Temperatura ambiente

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488193068
• Sonrisas canónicas: C1=CC(=C(C(=C1F)CO)F)Cl
• IUPAC Name: (3-chloro-2,6-difluorophenyl)methanol
• InChIKey: KLHRZAAZABAKME-UHFFFAOYSA-N
• INCHI: 1S/C7H5ClF2O/c8-5-1-2-6(9)4(3-11)7(5)10/h1-2,11H,3H2
• Isómeros SMILES: C1=CC(=C(C(=C1F)CO)F)Cl
• Peso molecular: 178.6
• Reaxy-Rn: 13674969
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13674969&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzyl alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyl alcohols
• Alternative Parents: Fluorobenzenes Chlorobenzenes Aryl fluorides Aryl chlorides Primary alcohols Organofluorides Organochlorides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyl alcohol - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Organohalogen compound - Primary alcohol - Aromatic alcohol - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Organochloride - Organofluoride - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzyl alcohols. These are organic compounds containing the phenylmethanol substructure.
• 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

• Peso molecular: 178.560 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 178 Da
• Monoisotopic Mass: 178 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 134.000
• 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