Bromindione - ≥98% , CAS No.1146-98-1

CAS: 1146-98-1 Cat. No.: B1454869 Formula: C₁₅H₉BrO₂ 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1146-98-1, the molecular formula is C15H9BrO2, and the molecular weight is 301.142 g/mol. InChIKey NPUZIGSOEWMFKK-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.