3-Hydroxy-1,8-naphthalic Anhydride - ≥95% , CAS No.23204-36-6

CAS: 23204-36-6 Cat. No.: H156940 Molecular Weight: 214.18 EC Number: 679-847-9

GRADE & PURITY ≥95%

Synonyms

7-hydroxy-3-oxatricyclo[7.3.1.0^{5,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione | 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 5-hydroxy- | 3-Hydroxy-1,8-naphthalic anhydride | A878306 | 1,1,2,2-TETRAFLUORO-2-(1,1,2,2,3,3,4,4-OCTAFLUORO-4-IODOBUTOXY)ETHANESU

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

7-hydroxy-3-oxatricyclo[7.3.1.0^{5, 13]trideca-1(12), 5(13), 6, 8, 10-pentaene-2, 4-dione | 1H, 3H-Naphtho[1, 8-cd]pyran-1, 3-dione, 5-hydroxy- | 3-Hydroxy-1, 8-naphthalic anhydride | A878306 | 1, 1, 2, 2-TETRAFLUORO-2-(1, 1, 2, 2, 3, 3, 4, 4-OCTAFLUORO-4-IODOBUTOXY)ETHANESU

Specifications & Purity

≥95%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504759451
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759451
• Canonical Smiles: C1=CC2=CC(=CC3=C2C(=C1)C(=O)OC3=O)O
• IUPAC Name: 7-hydroxy-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione
• InChIKey: FKVNZFAMXGMPOU-UHFFFAOYSA-N
• INCHI: 1S/C12H6O4/c13-7-4-6-2-1-3-8-10(6)9(5-7)12(15)16-11(8)14/h1-5,13H
• Isomeric SMILES: C1=CC2=CC(=CC3=C2C(=C1)C(=O)OC3=O)O
• Molecular Weight: 214.18
• Reaxy-Rn: 178594
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=178594&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Naphthalenecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,8-naphthalic anhydrides
• Alternative Parents: Naphthols and derivatives 2-benzopyrans 1-hydroxy-2-unsubstituted benzenoids Dicarboxylic acids and derivatives Carboxylic acid anhydrides Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,8-naphthalic anhydride - 2-naphthol - 2-benzopyran - Benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Dicarboxylic acid or derivatives - Carboxylic acid anhydride - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in dimethylformamide
• Sensitivity: Moisture sensitive.
• Melt Point(°C): 281 °C
• Molecular Weight: 214.170 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 214.027 Da
• Monoisotopic Mass: 214.027 Da
• Topological Polar Surface Area: 63.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 338.000
• 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. Hongmin Jia, Shuhe Xia, Huan Feng, Qingtao Meng, Chengchen Duan, Zhiqiang Zhang, Run Zhang.  (2018)  A fast response fluorescence probe specific for hypochlorous acid detection and its applications in bioimaging.  ORGANIC & BIOMOLECULAR CHEMISTRY,  16  (12): (2074-2082).  [PMID:29508888] [10.1039/C8OB00036K]

2. Qingtao Meng, Yue Wang, Huan Feng, Fang Zhou, Bo Zhou, Cuiping Wang, Run Zhang, Zhiqiang Zhang.  (2018)  A novel glucosamine-linked fluorescent chemosensor for the detection of pyrophosphate in an aqueous medium and live cells.  NEW JOURNAL OF CHEMISTRY,  42  (4): (2675-2681).  [PMID:] [10.1039/C7NJ04107A]

3. Huan Feng, Zhiqiang Zhang, Qingtao Meng, Hongmin Jia, Yue Wang, Run Zhang.  (2018)  Rapid Response Fluorescence Probe Enabled In Vivo Diagnosis and Assessing Treatment Response of Hypochlorous Acid-Mediated Rheumatoid Arthritis.  Advanced Science,  5  (8): (1800397).  [PMID:30128246] [10.1002/advs.201800397]