9-Fluorenecarboxylic Acid - ≥97%(T) , CAS No.1989-33-9

CAS: 1989-33-9 Cat. No.: F137506 Molecular Weight: 210.23 Beilstein Registry Number: 9690 EC Number: 217-866-2

GRADE & PURITY ≥97%(T)

Synonyms

9-Fluorenecarboxylic acid | 9-fluorene-carboxylic acid | MFCD00001136 | CCG-103165 | Fluorene-9-carboxylic acid | SCHEMBL40500 | AM84682 | M65BW232U5 | 7HE50A367X | EINECS 224-323-3 | HMS1402M01 | Enamine_003081 | NSC5322 | NSC-5322 | H6OLZ060HI | 9H-fluo

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

9-Fluorenecarboxylic acid | 9-fluorene-carboxylic acid | MFCD00001136 | CCG-103165 | Fluorene-9-carboxylic acid | SCHEMBL40500 | AM84682 | M65BW232U5 | 7HE50A367X | EINECS 224-323-3 | HMS1402M01 | Enamine_003081 | NSC5322 | NSC-5322 | H6OLZ060HI | 9H-fluo

Specifications & Purity

≥97%(T)

Storage

Room temperature

Shipped In

Normal

Purity

≥97%(T)

Names and Identifiers

• Canonical Smiles: C1=CC=C2C(=C1)C(C3=CC=CC=C32)C(=O)O
• IUPAC Name: 9H-fluorene-9-carboxylic acid
• InChIKey: DNVJGJUGFFYUPT-UHFFFAOYSA-N
• INCHI: 1S/C14H10O2/c15-14(16)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13H,(H,15,16)
• Isomeric SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)C(=O)O
• WGK Germany: 3
• Molecular Weight: 210.23
• Beilstein: 9690
• Reaxy-Rn: 1911728
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1911728&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: Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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: 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

Associated Targets(Human)

AKR1B1 Tclin Aldose reductase (1404 Activities)

Discover Target: AKR1B1

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

Mechanisms of Action

Chemical and Physical Properties

• Flash Point(°F): 446°F
• Flash Point(°C): 230℃
• Melt Point(°C): 226-234℃
• Molecular Weight: 210.230 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 210.068 Da
• Monoisotopic Mass: 210.068 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 264.000
• 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. Shuangshuang Hou, Hui Gao, Peixuan Xie, Shiwei Jin, Fengtian Wu, Bien Tan.  (2025)  Improved porosity and CO2 capturing capacity in carboxyl enriched hyper-cross-linked polymers via side chain engineering of fluorene derivatives based building units.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2025.135792]