Trimellitic anhydride chloride - ≥98% , CAS No.1204-28-0

CAS: 1204-28-0 Cat. No.: T107283 Molecular Weight: 210.57 Beilstein Registry Number: 610823 EC Number: 214-874-8 PubChem CID: 70998

GRADE & PURITY ≥98%

Synonyms

TMAC | 1,3-dioxo-1,3-dihydroisobenzofuran-5-carbonyl chloride | 4-Chloroformylphthalic anhydride

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

TMAC | 1, 3-dioxo-1, 3-dihydroisobenzofuran-5-carbonyl chloride | 4-Chloroformylphthalic anhydride

Specifications & Purity

≥98%

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

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC2=C(C=C1C(=O)Cl)C(=O)OC2=O
• IUPAC Name: 1,3-dioxo-2-benzofuran-5-carbonyl chloride
• InChIKey: NJMOHBDCGXJLNJ-UHFFFAOYSA-N
• INCHI: 1S/C9H3ClO4/c10-7(11)4-1-2-5-6(3-4)9(13)14-8(5)12/h1-3H
• Isomeric SMILES: C1=CC2=C(C=C1C(=O)Cl)C(=O)OC2=O
• WGK Germany: 3
• PubChem CID: 70998
• UN Number: 3261
• Molecular Weight: 210.57
• Beilstein: 610823
• Reaxy-Rn: 610823

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 Acyl chlorides Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalic_anhydride - Phthalic anhydride - Isobenzofuranone - Isocoumaran - Dicarboxylic acid or derivatives - Benzenoid - Carboxylic acid anhydride - Acyl chloride - Acyl halide - Carboxylic acid derivative - Oxacycle - Organohalogen compound - Organic oxide - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxygen 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: 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

• Sensitivity: Moisture sensitive
• Boil Point(°C): 195 °C/15 mmHg
• Melt Point(°C): 66-68°C
• Molecular Weight: 210.570 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 209.972 Da
• Monoisotopic Mass: 209.972 Da
• Topological Polar Surface Area: 60.400 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 312.000
• 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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