9-Fluorenone - ≥99% , CAS No.486-25-9

CAS: 486-25-9 Cat. No.: F109047 Formula: C₁₃H₈O Molecular Weight: 180.2 Beilstein Registry Number: 1636531 EC Number: 207-630-7

GRADE & PURITY ≥99%

Synonyms

AB00376854-04 | F0021 | HY-32181 | WLN: L B656 HVJ | AI3-00858 | DTXSID6049307 | EU-0084734 | bmse000521 | CX1121 | FLUORENONE | CHEBI:17922 | Q421328 | FLUORENONE [HSDB] | AKOS000118911 | AMY818 | Fluoren-9-one | c0390 | NCGC00336203-01 | Tox21_202919 |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AB00376854-04 | F0021 | HY-32181 | WLN: L B656 HVJ | AI3-00858 | DTXSID6049307 | EU-0084734 | bmse000521 | CX1121 | FLUORENONE | CHEBI:17922 | Q421328 | FLUORENONE [HSDB] | AKOS000118911 | AMY818 | Fluoren-9-one | c0390 | NCGC00336203-01 | Tox21_202919 |

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

Pubchem Sid

488181094

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181094

Canonical Smiles

C1=CC=C2C(=C1)C3=CC=CC=C3C2=O

IUPAC Name

fluoren-9-one

InChIKey

YLQWCDOCJODRMT-UHFFFAOYSA-N

INCHI

1S/C13H8O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H

Isomeric SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3C2=O

WGK Germany

3

RTECS

LL8925000

UN Number

3077

Packing Group

III

Molecular Weight

180.2

Beilstein

1636531

Reaxy-Rn

1636531

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1636531&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: Aryl ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - Aryl ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - 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)

HSP90AA1 Tchem Heat shock protein HSP 90-alpha (4115 Activities)

Discover Target: HSP90AA1

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

NQO1 Tchem Quinone reductase 1 (1746 Activities)

Discover Target: NQO1

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)

Brain (1 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water, alcohol, acetone, ether and benzene.
• Flash Point(°F): 325.4 °F
• Flash Point(°C): 163℃
• Boil Point(°C): 342°C
• Melt Point(°C): 84°C
• Molecular Weight: 180.200 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 180.058 Da
• Monoisotopic Mass: 180.058 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 222.000
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥99% 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 486-25-9, the molecular formula is C13H8O, and the molecular weight is 180.2 g/mol. InChIKey YLQWCDOCJODRMT-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.