2,3-Naphthalenedicarboxylic Anhydride - ≥95% , CAS No.716-39-2

CAS: 716-39-2 Cat. No.: N159252 Molecular Weight: 198.18 Beilstein Registry Number: 17(3/4)6388 EC Number: 211-936-6

GRADE & PURITY ≥95%

Synonyms

FT-0609752 | N0530 | 3-[(4,5-DICHLORO-1H-IMIDAZOL-1-YL)METHYL]-N-HYDROXYBENZENECARBOXIMIDAMIDE | benzo[f][2]benzofuran-1,3-dione | naphthalene-2,3-dicarboxylic anhydride | AKOS004907682 | A837270 | 2,3-Naphthalenedicarboxylic Anhydride | AMY11303 | 2,3-na

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

FT-0609752 | N0530 | 3-[(4, 5-DICHLORO-1H-IMIDAZOL-1-YL)METHYL]-N-HYDROXYBENZENECARBOXIMIDAMIDE | benzo[f][2]benzofuran-1, 3-dione | naphthalene-2, 3-dicarboxylic anhydride | AKOS004907682 | A837270 | 2, 3-Naphthalenedicarboxylic Anhydride | AMY11303 | 2, 3-na

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1=CC=C2C=C3C(=CC2=C1)C(=O)OC3=O
• IUPAC Name: benzo[f][2]benzofuran-1,3-dione
• InChIKey: IZJDCINIYIMFGX-UHFFFAOYSA-N
• INCHI: 1S/C12H6O3/c13-11-9-5-7-3-1-2-4-8(7)6-10(9)12(14)15-11/h1-6H
• Isomeric SMILES: C1=CC=C2C=C3C(=CC2=C1)C(=O)OC3=O
• Molecular Weight: 198.18
• Beilstein: 17(3/4)6388
• Reaxy-Rn: 151018
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=151018&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Naphthofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Naphthofurans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthofurans
• Alternative Parents: Phthalic anhydrides Naphthalenes Isobenzofuranones Dicarboxylic acids and derivatives Carboxylic acid anhydrides Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthofuran - Phthalic_anhydride - Phthalic anhydride - Benzofuranone - Naphthalene - Isobenzofuranone - Isocoumaran - Dicarboxylic acid or derivatives - Benzenoid - Carboxylic acid anhydride - Carboxylic acid derivative - Oxacycle - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthofurans. These are compounds containing a furan ring fused to a naphthalene moiety. Furan is a 5 membered- ring aromatic ring with four carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings.
• 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

• Solubility: Solubility in water: Decomposes in contact with water,Insoluble; Very soluble in Dimethylformamide
• Sensitivity: Moisture sensitive
• Boil Point(°C): 380 °C
• Melt Point(°C): 248 °C
• Molecular Weight: 198.170 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 198.032 Da
• Monoisotopic Mass: 198.032 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 280.000
• 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. Zhihao Guan, Zhaorun Tang, Jianwen Zeng, Junjie Deng, Yuewei Zheng, Houbin Li, Xinghai Liu.  (2024)  Molecular Engineering Enables Multi-Color Room Temperature Phosphorescence of Carbon Dots Composites Derived In Situ, Facilitating their Utilization for Advanced Information Encryption.  Advanced Optical Materials,      [PMID:] [10.1002/adom.202302820]

2. Li Xin, Li Wenlang, Deng Ziqi, Wang Jingtian, He Shan, Ou Xinwen, Phillips David Lee, Xiao Guanjun, Zou Bo, Kwok Ryan T. K., Sun Jianwei, Lam Jacky W. Y., Guo Zhihong, Tang Ben Zhong.  (2025)  Building bridges through dynamic coupling for organic phosphorescence.  Nature Communications,  16  (1): (1-12).  [PMID:40634348] [10.1038/s41467-025-61714-0]

3. Chen Chuanli, Yang Yuezhen, Zhang Lutong, Dai Wenbo, Lei Yunxiang, Liu Miaochang, Wu Huayue, Huang Xiaobo, Yan Dongpeng.  (2026)  Multiple hydrogen bonding enables large-area doped phosphorescent glasses with robust stability and high-temperature afterglow.  Nature Communications,      [PMID:41547867] [10.1038/s41467-026-68590-2]