Bromindione - ≥98% , CAS No.1146-98-1

CAS: 1146-98-1 Cat. No.: B1454869 Molecular Weight: 301.142 EC Number: 653-821-7 PubChem CID: 14369

GRADE & PURITY ≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Bromindione is a potent, long-acting, inandione-derived, oral anticoagulant compound.

Specifications

Specifications & Purity

≥98%

Storage

Store at 2-8°C

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=CC=C2C(=C1)C(=O)C(C2=O)C3=CC=C(C=C3)Br
• IUPAC Name: 2-(4-bromophenyl)indene-1,3-dione
• InChIKey: NPUZIGSOEWMFKK-UHFFFAOYSA-N
• INCHI: 1S/C15H9BrO2/c16-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)15(13)18/h1-8,13H
• Isomeric SMILES: C1=CC=C2C(=C1)C(=O)C(C2=O)C3=CC=C(C=C3)Br
• PubChem CID: 14369
• Molecular Weight: 301.142

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Indanes
      • Subclass Indanones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Indanes
• Subclass: Indanones
• Intermediate Tree Nodes: Not available
• Direct Parent: Indanediones
• Alternative Parents: Aryl alkyl ketones Bromobenzenes Beta-diketones Aryl bromides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Indanedione - Aryl ketone - Aryl alkyl ketone - Bromobenzene - Halobenzene - 1,3-diketone - 1,3-dicarbonyl compound - Aryl bromide - Monocyclic benzene moiety - Aryl halide - Ketone - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indanediones. These are compounds containing an indane ring bearing two ketone groups.
• 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