2,5-Dibromo-3,4-thiophenedicarboxylic Anhydride - ≥95% , CAS No.1015423-45-6

CAS: 1015423-45-6 Cat. No.: D155843 Molecular Weight: 311.93 EC Number: 808-074-3

GRADE & PURITY ≥95%

Synonyms

1015423-45-6 | dibromo-1H,3H-thieno[3,4-c]furan-1,3-dione | AS-67725 | DIBROMOTHIENO[3,4-C]FURAN-1,3-DIONE | SCHEMBL15902630 | AMY7335 | AKOS022175022 | A853102 | 4,6-Dibromothieno[3,4-c]furan-1,3-dione | DTXSID20857033 | 1H,3H-Thieno[3,4-c]furan-1,3-dion

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

1015423-45-6 | dibromo-1H, 3H-thieno[3, 4-c]furan-1, 3-dione | AS-67725 | DIBROMOTHIENO[3, 4-C]FURAN-1, 3-DIONE | SCHEMBL15902630 | AMY7335 | AKOS022175022 | A853102 | 4, 6-Dibromothieno[3, 4-c]furan-1, 3-dione | DTXSID20857033 | 1H, 3H-Thieno[3, 4-c]furan-1, 3-dion

Specifications & Purity

≥95%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504772204
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772204
• Canonical Smiles: C12=C(SC(=C1C(=O)OC2=O)Br)Br
• IUPAC Name: 4,6-dibromothieno[3,4-c]furan-1,3-dione
• InChIKey: OQMJQMGTDSIYNQ-UHFFFAOYSA-N
• INCHI: 1S/C6Br2O3S/c7-3-1-2(4(8)12-3)6(10)11-5(1)9
• Isomeric SMILES: C12=C(SC(=C1C(=O)OC2=O)Br)Br
• Molecular Weight: 311.93
• Reaxy-Rn: 23475418
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23475418&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Aryl halides
      • Subclass Aryl bromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Aryl halides
• Subclass: Aryl bromides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl bromides
• Alternative Parents: Vinylogous halides Thiophenes Heteroaromatic compounds Carboxylic acid anhydrides Oxacyclic compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aryl bromide - Heteroaromatic compound - Vinylogous halide - Thiophene - Carboxylic acid anhydride - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as aryl bromides. These are organic compounds containing the acyl bromide functional group.
• 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
• Molecular Weight: 311.940 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 311.791 Da
• Monoisotopic Mass: 309.793 Da
• Topological Polar Surface Area: 71.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 233.000
• 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