4-Amino-1,8-naphthalic anhydride - ≥95% , CAS No.6492-86-0

CAS: 6492-86-0 Cat. No.: A467367 Peso molecular: 213.19 Número EC: 229-372-4

GRADE & PURITY ≥95%

Synonyms

1H,8-cd]pyran-1,3-dione, 6-amino- | EINECS 229-372-4 | FT-0636166 | 6-amino-1h,3h-benzo[de]isochromene-1,3-dione | BDBM50426886 | Naphthalic anhydride, 4-amino- | NSC 7564 | 4-Amino-1.8-naphthalic anhydride | AC-6718 | QIXHMCMCFSNKOG-UHFFFAOYSA-N | 4-Amin

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

1H, 8-cd]pyran-1, 3-dione, 6-amino- | EINECS 229-372-4 | FT-0636166 | 6-amino-1h, 3h-benzo[de]isochromene-1, 3-dione | BDBM50426886 | Naphthalic anhydride, 4-amino- | NSC 7564 | 4-Amino-1.8-naphthalic anhydride | AC-6718 | QIXHMCMCFSNKOG-UHFFFAOYSA-N | 4-Amin

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

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Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504755490
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755490
• Sonrisas canónicas: C1=CC2=C(C=CC3=C2C(=C1)C(=O)OC3=O)N
• IUPAC Name: 8-amino-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione
• InChIKey: QIXHMCMCFSNKOG-UHFFFAOYSA-N
• INCHI: 1S/C12H7NO3/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(14)16-12(8)15/h1-5H,13H2
• Isómeros SMILES: C1=CC2=C(C=CC3=C2C(=C1)C(=O)OC3=O)N
• Peso molecular: 213.19
• Reaxy-Rn: 177160
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=177160&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthalenes
      • Subclass Naphthalenecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthalenes
• Subclass: Naphthalenecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,8-naphthalic anhydrides
• Alternative Parents: 2-benzopyrans Dicarboxylic acids and derivatives Carboxylic acid anhydrides Amino acids and derivatives Oxacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,8-naphthalic anhydride - Benzopyran - 2-benzopyran - Dicarboxylic acid or derivatives - Carboxylic acid anhydride - Amino acid or derivatives - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Amine - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1,8-naphthalic anhydrides. These are organic aromatic compounds that contain a naphthalene carrying two carboxyl groups at the 1- and 8-positions. In naphthalene anhydrides, the two carboxyl groups at the 1- and 8-positions share one oxygen atom.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive
• Peso molecular: 213.190 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 213.043 Da
• Monoisotopic Mass: 213.043 Da
• Topological Polar Surface Area: 69.400 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 341.000
• 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. Junming Dai, Jianming Zhong, Jinpeng Luo, Yuxing Song, Fan Hu, Young Moo Lee, Yongbing Zhuang.  (2026)  Synergistic Hydrogen-Bonding and Covalent Crosslinking in Polybenzimidazole Membranes for Wide-Temperature Anhydrous Fuel Cells.  Advanced Science,      [PMID:41734259] [10.1002/advs.202522161]