2,2,2-Trifluoro-1-(9-anthryl)ethanol - ≥97% , CAS No.65487-67-4

CAS: 65487-67-4 Cat. No.: T161666 Formula: C₁₆H₁₁F₃O Peso molecolare: 276.26 Numero EC: 265-791-9 PubChem CID: 103802

GRADE & PURITY ≥97%

Synonyms

FT-0676258 | 1-(9-Anthryl)-2,2,2-trifluoroethanol # | 2,2,2-Trifluoro-1-(9-anthracenyl)ethanol | SY061551 | AKOS015852710 | SCHEMBL2482183 | T72786 | DTXSID70968284 | 1-(9-ANTHRYL)-2,2,2-TRIFLUORO-1-ETHANOL | 1-(9-Anthryl)-2,2,2-trifluoroethanol | 1-(9-an

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

FT-0676258 | 1-(9-Anthryl)-2,2,2-trifluoroethanol # | 2,2,2-Trifluoro-1-(9-anthracenyl)ethanol | SY061551 | AKOS015852710 | SCHEMBL2482183 | T72786 | DTXSID70968284 | 1-(9-ANTHRYL)-2,2,2-TRIFLUORO-1-ETHANOL | 1-(9-Anthryl)-2,2,2-trifluoroethanol | 1-(9-an

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

• Sorrisi canonici: C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C(C(F)(F)F)O
• IUPAC Name: 1-anthracen-9-yl-2,2,2-trifluoroethanol
• InChIKey: ICZHJFWIOPYQCA-UHFFFAOYSA-N
• INCHI: 1S/C16H11F3O/c17-16(18,19)15(20)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9,15,20H
• Isomeri SMILES: C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C(C(F)(F)F)O
• CAS alternativo: 60686-64-8
• PubChem CID: 103802
• Peso molecolare: 276.26
• Reaxy-Rn: 2288315

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Anthracenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Anthracenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthracenes
• Alternative Parents: Secondary alcohols Fluorohydrins Organofluorides Hydrocarbon derivatives Aromatic alcohols Alkyl fluorides
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Anthracene - Secondary alcohol - Halohydrin - Fluorohydrin - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Alcohol - Aromatic homopolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three linearly fused benzene rings.
• 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

Proprietà chimiche e fisiche

• Punto di fusione (°C): 142 °C
• Peso molecolare: 276.250 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 276.076 Da
• Monoisotopic Mass: 276.076 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 319.000
• 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

Riferimenti

1. Yuhong Zhou, Qian Liang, Zhilun Zhang, Zhaodi Wang, Mingxian Huang.  (2020)  Chiral separations with crosslinked cellulose derivatives attached onto hybrid silica monolith particles via the thiol–ene click reaction.  Analytical Methods,  12  (21): (2727-2734).  [PMID:32930304] [10.1039/D0AY00772B]

2. Mingxian Huang, Hongyan Ma, Mengna Niu, Fei Hu, Shige Wang, Lulu Li, Chunguang Lv.  (2017)  Preparation of silica microspheres with a broad pore size distribution and their use as the support for a coated cellulose derivative chiral stationary phase.  JOURNAL OF SEPARATION SCIENCE,  41  (6): (1232-1239).  [PMID:29211344] [10.1002/jssc.201701215]