o-Phthalic anhydride - ≥99% , CAS No.85-44-9

CAS: 85-44-9 Cat. No.: P1372019 Molecular Weight: 148.12 Beilstein Registry Number: 118515 EC Number: 201-607-5

GRADE & PURITY ≥99%

Synonyms

CHEBI:36605 | PHTHALIC ANHYDRIDE | Wiltrol P | 1,3-DIOXOPHTHALANE | Anidride ftalica | pthalic anhydride | RCRA waste number U190 | STL194302 | HSDB 4012 | Phthalic anhydride treated gelatin | Phthalic anhydride, ACS reagent, >=99% | 2-Benzofuran-1,3-dion

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Overview

Phthalic anhydride is an industrially important chemical. It can be prepared from o-xylene or naphthalene. It is widely used for the industrial preparation of plasticizers for PVC (polyvinyl chloride).Phthalic anhydride can be synthesized via oxidation of o-xylene, in the presence of V2O5/TiO2 monolithic catalyst supported by aluminium honeycomb.

Specifications

Synonyms

CHEBI:36605 | PHTHALIC ANHYDRIDE | Wiltrol P | 1, 3-DIOXOPHTHALANE | Anidride ftalica | pthalic anhydride | RCRA waste number U190 | STL194302 | HSDB 4012 | Phthalic anhydride treated gelatin | Phthalic anhydride, ACS reagent, >=99% | 2-Benzofuran-1, 3-dion

Specifications & Purity

≥99%

Storage

Room temperature, Argon charged

Shipped In

FedEx DG Service

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

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488180164
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180164
• Canonical Smiles: C1=CC=C2C(=C1)C(=O)OC2=O
• IUPAC Name: 2-benzofuran-1,3-dione
• InChIKey: LGRFSURHDFAFJT-UHFFFAOYSA-N
• INCHI: 1S/C8H4O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H
• Isomeric SMILES: C1=CC=C2C(=C1)C(=O)OC2=O
• WGK Germany: 1
• RTECS: TI3150000
• UN Number: 2214
• Packing Group: III
• Molecular Weight: 148.12
• Beilstein: 118515
• Reaxy-Rn: 118515
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=118515&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzofurans
      • Subclass Benzofuranones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzofurans
• Subclass: Benzofuranones
• Intermediate Tree Nodes: Not available
• Direct Parent: Phthalic anhydrides
• Alternative Parents: Isobenzofuranones Dicarboxylic acids and derivatives Benzenoids Carboxylic acid anhydrides Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalic anhydride - Phthalic_anhydride - Isobenzofuranone - Isocoumaran - Benzenoid - Dicarboxylic acid or derivatives - Carboxylic acid anhydride - Oxacycle - 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 phthalic anhydrides. These are compounds containing a phthalic anhydride moiety (or a derivative thereof), which consists of a benzene fused to a furan-1,3-dione.
• External Descriptors: 2-benzofurans - cyclic dicarboxylic anhydride

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 water, carbon disulfide, ethanol, acetone and benzene. Slightly soluble in ethyl ether
• Sensitivity: Moisture sensitive.
• Flash Point(°F): 305.6 °F
• Flash Point(°C): 152 °C
• Boil Point(°C): 295°C
• Melt Point(°C): 130.8°C
• Molecular Weight: 148.110 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 148.016 Da
• Monoisotopic Mass: 148.016 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 187.000
• 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

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