Dibenzo[b,d]furan-3-amine - ≥98% , CAS No.4106-66-5

CAS: 4106-66-5 Cat. No.: D184410 Molecular Weight: 183.2 EC Number: 809-248-1

GRADE & PURITY ≥98%

Synonyms

AS-31686 | Dibenzo[b,d]furan-3-amine | 2-Aminodiphenylenoxyd [German] | Dibenzofuranylamine | WLN: T B656 HOJ EZ | SY017405 | 3-Aminodibenzofuran | BCP34453 | SR-01000397642-1 | AKOS000111321 | 3-Amino dibenzofuran | BRN 0135942 | NCGC00245516-01 | Z57728

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AS-31686 | Dibenzo[b, d]furan-3-amine | 2-Aminodiphenylenoxyd [German] | Dibenzofuranylamine | WLN: T B656 HOJ EZ | SY017405 | 3-Aminodibenzofuran | BCP34453 | SR-01000397642-1 | AKOS000111321 | 3-Amino dibenzofuran | BRN 0135942 | NCGC00245516-01 | Z57728

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488182585
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182585
• Canonical Smiles: C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)N
• IUPAC Name: dibenzofuran-3-amine
• InChIKey: GHQCIALFYKYZGS-UHFFFAOYSA-N
• INCHI: 1S/C12H9NO/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h1-7H,13H2
• Isomeric SMILES: C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)N
• Molecular Weight: 183.2
• Reaxy-Rn: 135942
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=135942&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzofurans
      • Subclass Dibenzofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzofurans
• Subclass: Dibenzofurans
• Intermediate Tree Nodes: Not available
• Direct Parent: Dibenzofurans
• Alternative Parents: Benzenoids Heteroaromatic compounds Furans Oxacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dibenzofuran - Benzenoid - Heteroaromatic compound - Furan - Oxacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as dibenzofurans. These are compounds containing a dibenzofuran moiety, which consists of two benzene rings fused to a central furan ring.
• 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

Chemical and Physical Properties

• Molecular Weight: 183.210 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 183.068 Da
• Monoisotopic Mass: 183.068 Da
• Topological Polar Surface Area: 39.200 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 218.000
• 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. Li Shuzhen, Xing Menghao, Xu Xifan, Hu Wenjing, Zhou Hang, Cao Xiaoyu.  (2026)  Dynamic photochromism in cocrystals and tri-state fluorescence switching in films for multilevel optical encryption.  Nature Communications,      [PMID:41667497] [10.1038/s41467-026-69434-9]