Phenylmaleic anhydride - ≥98% , CAS No.36122-35-7

CAS: 36122-35-7 Cat. No.: P120234 Peso molecular: 174.15 Beilstein Registry Number: 127301 Número EC: 252-881-8

GRADE & PURITY ≥98%

Synonyms

AKOS005257661 | alpha-phenyl-maleic anhydride | NSC 191772 | phenyl maleic anhydride | 2,5-Furandione, 3-phenyl- | SY049678 | 3-Phenyl-2,5-dihydrofuran-2,5-dione | 3-Phenyl-furan-2,5-dione | 3-Phenylfuran-2,5-dione | Phenylmalecanhydrde | SB61102 | EINECS

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

AKOS005257661 | alpha-phenyl-maleic anhydride | NSC 191772 | phenyl maleic anhydride | 2, 5-Furandione, 3-phenyl- | SY049678 | 3-Phenyl-2, 5-dihydrofuran-2, 5-dione | 3-Phenyl-furan-2, 5-dione | 3-Phenylfuran-2, 5-dione | Phenylmalecanhydrde | SB61102 | EINECS

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488187168
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187168
• Sonrisas canónicas: C1=CC=C(C=C1)C2=CC(=O)OC2=O
• IUPAC Name: 3-phenylfuran-2,5-dione
• InChIKey: QZYCWJVSPFQUQC-UHFFFAOYSA-N
• INCHI: 1S/C10H6O3/c11-9-6-8(10(12)13-9)7-4-2-1-3-5-7/h1-6H
• Isómeros SMILES: C1=CC=C(C=C1)C2=CC(=O)OC2=O
• WGK Alemania: 3
• Peso molecular: 174.15
• Beilstein: 127301
• Reaxy-Rn: 127301
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=127301&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Dihydrofurans
      • Subclass Furanones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Dihydrofurans
• Subclass: Furanones
• Intermediate Tree Nodes: Not available
• Direct Parent: Butenolides
• Alternative Parents: Dicarboxylic acids and derivatives Benzene and substituted derivatives Carboxylic acid anhydrides Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenoid - Dicarboxylic acid or derivatives - 2-furanone - Monocyclic benzene moiety - Carboxylic acid anhydride - Oxacycle - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as butenolides. These are dihydrofurans with a carbonyl group at the C2 carbon 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
• Punto de fusión (°C): 122℃
• Peso molecular: 174.150 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 174.032 Da
• Monoisotopic Mass: 174.032 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 272.000
• 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