2,6-Difluoro-4-hydroxybenzyl alcohol - ≥97% , CAS No.438049-36-6

CAS: 438049-36-6 Cat. No.: D184544 Peso molecular: 160.12 Número EC: 814-243-2

GRADE & PURITY ≥97%

Synonyms

2,6-Difluoro-4-hydroxybenzylalcohol | AM20040475 | BBL103608 | A7004 | 3,5-difluoro-4-(hydroxymethyl)phenol | FT-0713174 | SCHEMBL4048403 | J-507470 | STL557418 | SY067215 | DTXSID30623509 | GS-4454 | RQMJWCOEDWMJLS-UHFFFAOYSA-N | 3,5-difluoro-4-hydroxyme

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

2, 6-Difluoro-4-hydroxybenzylalcohol | AM20040475 | BBL103608 | A7004 | 3, 5-difluoro-4-(hydroxymethyl)phenol | FT-0713174 | SCHEMBL4048403 | J-507470 | STL557418 | SY067215 | DTXSID30623509 | GS-4454 | RQMJWCOEDWMJLS-UHFFFAOYSA-N | 3, 5-difluoro-4-hydroxyme

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504769165
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769165
• Sonrisas canónicas: C1=C(C=C(C(=C1F)CO)F)O
• IUPAC Name: 3,5-difluoro-4-(hydroxymethyl)phenol
• InChIKey: RQMJWCOEDWMJLS-UHFFFAOYSA-N
• INCHI: 1S/C7H6F2O2/c8-6-1-4(11)2-7(9)5(6)3-10/h1-2,10-11H,3H2
• Isómeros SMILES: C1=C(C=C(C(=C1F)CO)F)O
• Peso molecular: 160.12
• Reaxy-Rn: 13905157
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13905157&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: M-fluorophenols Fluorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Primary alcohols Organofluorides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyl alcohol - 3-halophenol - 3-fluorophenol - 1-hydroxy-2-unsubstituted benzenoid - Fluorobenzene - Phenol - Halobenzene - Aryl fluoride - Aryl halide - Alcohol - Organohalogen compound - Organofluoride - Organooxygen compound - Primary alcohol - Aromatic alcohol - Hydrocarbon derivative - Organic oxygen 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: 160.120 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 160.034 Da
• Monoisotopic Mass: 160.034 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 120.000
• 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