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

CAS: 1689-64-1 Cat. No.: H101956 Peso molecular: 182.22 Número EC: 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

Descripción general

Application

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

Specifications

Sinónimos

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

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature

Enviado en

Normal

Tipo de acción

INHIBITOR

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488184910
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184910
• Sonrisas canónicas: 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
• Isómeros SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)O
• WGK Alemania: 3
• Número ONU: 3077
• Peso molecular: 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
    • Clase Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

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

Objetivos asociados (no humanos)

Canis familiaris (36305 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Insoluble in water.
• Sensibilidad: Light&Moisture sensitive
• Punto de fusión (°C): 153-154°C
• Peso molecular: 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

Referencias

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]