Decafluorobenzhydrol - ≥97% , CAS No.1766-76-3

CAS: 1766-76-3 Cat. No.: D154519 Fórmula: C₁₃H₂F₁₀O Peso molecular: 364.14 Número CE: 217-185-0

GRADE & PURITY ≥97%

Synonyms

Benzhydrol,2',3,3',4,4',5,5',6,6'-decafluoro- | Decafluorodiphenylmethanol | HMS1607B17 | 1-(Decyloxy)decane | Bis(pentafluorophenyl)methanol | Decafluorobenzhydrol | NSC 97029 | Benzhydrol, 2,2',3,3',4,4',5,5',6,6'-decafluoro- | T70437 | 4-amino-2-chloro

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Benzhydrol,2',3,3',4,4',5,5',6,6'-decafluoro- | Decafluorodiphenylmethanol | HMS1607B17 | 1-(Decyloxy)decane | Bis(pentafluorophenyl)methanol | Decafluorobenzhydrol | NSC 97029 | Benzhydrol, 2,2',3,3',4,4',5,5',6,6'-decafluoro- | T70437 | 4-amino-2-chloro

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

• Pubchem Sid: 488184930
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184930
• Sorrisos canónicos: C1(=C(C(=C(C(=C1F)F)F)F)F)C(C2=C(C(=C(C(=C2F)F)F)F)F)O
• IUPAC Name: bis(2,3,4,5,6-pentafluorophenyl)methanol
• InChIKey: WRLLBTKDSCJOBL-UHFFFAOYSA-N
• INCHI: 1S/C13H2F10O/c14-3-1(4(15)8(19)11(22)7(3)18)13(24)2-5(16)9(20)12(23)10(21)6(2)17/h13,24H
• SMILES isoméricas: C1(=C(C(=C(C(=C1F)F)F)F)F)C(C2=C(C(=C(C(=C2F)F)F)F)F)O
• Peso molecular: 364.14
• Reaxy-Rn: 2067248
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2067248&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Fluorobenzenes Aryl fluorides Secondary alcohols Organofluorides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Organofluoride - Organohalogen compound - Alcohol - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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

Propriedades químicas e físicas

• Solubilidade: Insoluble in water.
• Ponto de ebulição (°C): 110°C/1.5mmHg(lit.)
• Ponto de fusão (°C): 77-80°C
• Peso molecular: 364.140 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 2
• Exact Mass: 363.995 Da
• Monoisotopic Mass: 363.995 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 371.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1766-76-3, the molecular formula is C13H2F10O, and the molecular weight is 364.14 g/mol. InChIKey WRLLBTKDSCJOBL-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.