2,3-Diphenylmaleic Anhydride - ≥95%(GC) , CAS No.4808-48-4

CAS: 4808-48-4 Cat. No.: D154822 Molecular Weight: 250.25 Beilstein Registry Number: 17(5)11,556 EC Number: 225-370-2

GRADE & PURITY ≥95%(GC)

Synonyms

NSC 47959 | 2,3-Diphenylmaleic anhydride | 2,5-Furandione, 3,4-diphenyl- | AS-59408 | SCHEMBL592300 | 2-Methylaminopropane | Diphenylmaleic anhydride | diphenyl-maleic anhydride | 1,4,8,11-Tetrazaundecane | AE-641/00805062 | 6-Chloro-2H-3,1-benzoxazine-2,

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

NSC 47959 | 2, 3-Diphenylmaleic anhydride | 2, 5-Furandione, 3, 4-diphenyl- | AS-59408 | SCHEMBL592300 | 2-Methylaminopropane | Diphenylmaleic anhydride | diphenyl-maleic anhydride | 1, 4, 8, 11-Tetrazaundecane | AE-641/00805062 | 6-Chloro-2H-3, 1-benzoxazine-2,

Specifications & Purity

≥95%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥95%(GC)

Names and Identifiers

• Pubchem Sid: 504755300
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755300
• Canonical Smiles: C1=CC=C(C=C1)C2=C(C(=O)OC2=O)C3=CC=CC=C3
• IUPAC Name: 3,4-diphenylfuran-2,5-dione
• InChIKey: OUJCFCNZIUTYBH-UHFFFAOYSA-N
• INCHI: 1S/C16H10O3/c17-15-13(11-7-3-1-4-8-11)14(16(18)19-15)12-9-5-2-6-10-12/h1-10H
• Isomeric SMILES: C1=CC=C(C=C1)C2=C(C(=O)OC2=O)C3=CC=CC=C3
• Molecular Weight: 250.25
• Beilstein: 17(5)11,556
• Reaxy-Rn: 191180
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=191180&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Dicarboxylic acids and derivatives Butenolides Benzene and substituted derivatives Carboxylic acid anhydrides Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Stilbene - Monocyclic benzene moiety - 2-furanone - Dicarboxylic acid or derivatives - Benzenoid - Carboxylic acid anhydride - Dihydrofuran - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic oxide - Organooxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• 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: Moisture sensitive
• Boil Point(°C): 236°C
• Melt Point(°C): 157-160℃
• Molecular Weight: 250.250 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 250.063 Da
• Monoisotopic Mass: 250.063 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 372.000
• 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