9-Hydroxyfluorene - ≥97% , CAS No.1689-64-1

CAS: 1689-64-1 Cat. No.: H101956 Molecular Weight: 182.22 EC Number: 216-879-0

GRADE & PURITY ≥97%

Synonyms

InChI=1/C13H10O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13-14H | NSC 5320 | 9-Hydroxy-9H-fluorene | Fluoren-9-ol | NSC5320 | NSC-5320 | DTXSID4052683 | 9H-Fluorene-9-ol | BDBM50303916 | Du Pont 1318 | AC-4876 | Q5462806 | FT-0621649 | ALPHA-DANSYL

Storage

Protected from light,Room temperature

Shipped In

Normal

Overview

Application

9-Fluorenol is used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuffs.

Specifications

Synonyms

InChI=1/C13H10O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8, 13-14H | NSC 5320 | 9-Hydroxy-9H-fluorene | Fluoren-9-ol | NSC5320 | NSC-5320 | DTXSID4052683 | 9H-Fluorene-9-ol | BDBM50303916 | Du Pont 1318 | AC-4876 | Q5462806 | FT-0621649 | ALPHA-DANSYL

Specifications & Purity

≥97%

Storage

Protected from light, Room temperature

Shipped In

Normal

Action Type

INHIBITOR

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488184910
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184910
• Canonical Smiles: C1=CC=C2C(=C1)C(C3=CC=CC=C32)O
• IUPAC Name: 9H-fluoren-9-ol
• InChIKey: AFMVESZOYKHDBJ-UHFFFAOYSA-N
• INCHI: 1S/C13H10O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13-14H
• Isomeric SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)O
• WGK Germany: 3
• UN Number: 3077
• Molecular Weight: 182.22
• Reaxy-Rn: 1869799
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1869799&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Fluorenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorenes
• Alternative Parents: Secondary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.
• External Descriptors: an aromatic compound

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

Associated Targets(Human)

SLC6A3 Tclin Dopamine transporter (10535 Activities)

Discover Target: SLC6A3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

IDO1 Tchem Indoleamine 2,3-dioxygenase (6650 Activities)

Discover Target: IDO1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Canis familiaris (36305 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rattus norvegicus (775804 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Brain (1 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water.
• Sensitivity: Light&Moisture sensitive
• Melt Point(°C): 153-154°C
• Molecular Weight: 182.220 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 182.073 Da
• Monoisotopic Mass: 182.073 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 191.000
• 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

References

1. Chun-Ying Xu, Yuan-Yuan Cui, Cheng-Xiong Yang.  (2023)  Fabrication of magnetic Fe3O4 doped β-cyclodextrin microporous organic network for the efficient extraction of endocrine disrupting chemicals from food takeaway boxes.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:38171066] [10.1016/j.chroma.2023.464625]

2. Yingjiao Dong, Ruijie Wang, Yao Chen, Zhikai Hong, Guanhua Wang.  (2023)  Facile synthesis of triazine-based porous organic polymer for the extraction and determination of nitrofuran metabolites residues from meat samples with ultra-high performance liquid chromatography-quadrupole time of flight mass spectrometry.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:36812775] [10.1016/j.chroma.2023.463875]

3. Xin-Qiao He, Yuan-Yuan Cui, Cheng-Xiong Yang.  (2021)  Thiol–Yne Click Postsynthesis of a Sulfonate Group-Enriched Magnetic Microporous Organic Network for Efficient Extraction of Benzimidazole Fungicides.  ACS Applied Materials & Interfaces,      [PMID:34374514] [10.1021/acsami.1c11148]

4. Xin-Qiao He, Yuan-Yuan Cui, Xiao-Hui Lin, Cheng-Xiong Yang.  (2021)  Fabrication of polyethyleneimine modified magnetic microporous organic network nanosphere for efficient enrichment of non-steroidal anti-inflammatory drugs from wastewater samples prior to HPLC-UV analysis.  TALANTA,      [PMID:34215105] [10.1016/j.talanta.2021.122471]

5. Deqiong Xie, Kecan Dou, Jiale Huang, Wenqian Zhai, Jing Shi, Lei Zhuang, Weidong Zhu, Fumin Zhang.  (2024)  Ceria Nanoparticles on Modified MXene for Aerobic Oxidation of 4-Methoxybenzyl Alcohol.  ACS Applied Nano Materials,      [PMID:] [10.1021/acsanm.4c02758]