Fluorene-2-carboxaldehyde - ≥98% , CAS No.30084-90-3

CAS: 30084-90-3 Cat. No.: F121521 Molecular Weight: 194.23 Beilstein Registry Number: 2255852 EC Number: 250-035-2

GRADE & PURITY ≥98%

Synonyms

EINECS 250-035-2 | 1QDR3MEU7Z | Fluorene-2-carbaldehyde | BCP33158 | 2-Formylfluorene | J-017774 | UNII-1QDR3MEU7Z | 2-fluorenecarboaldehyde | A820188 | BRN 2255852 | 4-07-00-01656 (Beilstein Handbook Reference) | 9H-Fluorene-2-carboxaldehyde | 2-Fluorenc

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Product Application:

Fluorene-2-carboxaldehyde was used in the preparation of 2-hydroxyl-methyl-fluorene.

Specifications

Synonyms

EINECS 250-035-2 | 1QDR3MEU7Z | Fluorene-2-carbaldehyde | BCP33158 | 2-Formylfluorene | J-017774 | UNII-1QDR3MEU7Z | 2-fluorenecarboaldehyde | A820188 | BRN 2255852 | 4-07-00-01656 (Beilstein Handbook Reference) | 9H-Fluorene-2-carboxaldehyde | 2-Fluorenc

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1C2=CC=CC=C2C3=C1C=C(C=C3)C=O
• IUPAC Name: 9H-fluorene-2-carbaldehyde
• InChIKey: MNQGEQSXFDKAPY-UHFFFAOYSA-N
• INCHI: 1S/C14H10O/c15-9-10-5-6-14-12(7-10)8-11-3-1-2-4-13(11)14/h1-7,9H,8H2
• Isomeric SMILES: C1C2=CC=CC=C2C3=C1C=C(C=C3)C=O
• WGK Germany: 3
• RTECS: LL5917000
• Molecular Weight: 194.23
• Beilstein: 2255852
• Reaxy-Rn: 2255852
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2255852&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-aldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - Aryl-aldehyde - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air and Light Sensitive
• Melt Point(°C): 83-85°C
• Molecular Weight: 194.230 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 194.073 Da
• Monoisotopic Mass: 194.073 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 248.000
• 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. Dandan Lu, Jie Zhang, Mingzhi Deng, Xiaoqian Liu, Ziyao Liu, Keyang Yin, Hongguang Li.  (2024)  Impressive nonlinear optical response of π-conjugated, photoluminescent soft nanoparticles in polymer matrix.  CARBON,      [PMID:] [10.1016/j.carbon.2024.119607]