Chemical Identity
Molecular Formula
C18H11Cl2NO4
Molecular Weight
376.2 g/mol
Exact Mass
375.006513
PubChem CID
6603913
IUPAC Name
3-[(E)-2-carboxy-2-phenylethenyl]-4,6-dichloro-1H-indole-2-carboxylic acid
SMILES String
O=C(O)/C(=C/c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)c1ccccc1
Names & Synonyms
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External Identifiers
Catalog Overview
MDL-105519, identified by CAS 161230-88-2, is a dichloro-substituted indole dicarboxylic acid derivative with the molecular formula C18H11Cl2NO4 and a molecular weight of 376.20. Its structure features a 4,6-dichloro-1H-indole-2-carboxylic acid core, substituted at the 3-position with an (E)-2-carboxy-2-phenylethenyl group. This compound is intended for Research Use Only (RUO) and can be utilized in various scientific investigations, including medicinal chemistry, synthetic organic chemistry, and biochemical studies, where its unique structural characteristics may be explored for novel interactions or as a scaffold for further...
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Read more catalog context
MDL-105519, identified by CAS 161230-88-2, is a dichloro-substituted indole dicarboxylic acid derivative with the molecular formula C18H11Cl2NO4 and a molecular weight of 376.20. Its structure features a 4,6-dichloro-1H-indole-2-carboxylic acid core, substituted at the 3-position with an (E)-2-carboxy-2-phenylethenyl group. This compound is intended for Research Use Only (RUO) and can be utilized in various scientific investigations, including medicinal chemistry, synthetic organic chemistry, and biochemical studies, where its unique structural characteristics may be explored for novel interactions or as a scaffold for further chemical modifications.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White to off-white solid
Physical State
Solid
Melting Point
205.0 °C
Boiling Point
520.0 °C
Density
1.55 g/cm³
Water Solubility
Poorly soluble
Flash Point
346.6 °C
Applications / Classifications
Biological Target Reference
No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.
Preliminary Safety-Style Reference
PreliminaryPreliminary safety-style information for reference only. Not a supplier SDS.
Handling and Storage
- Handle MDL-105519 with appropriate personal protective equipment, including chemical-resistant gloves, safety glasses or goggles, and a lab coat. Ensure use in a well-ventilated area or a chemical fume hood to prevent inhalation. Avoid direct contact with skin and eyes. In case of exposure, immediately flush affected areas with plenty of water and seek medical attention if irritation persists. Store the compound in a cool, dry place, securely sealed, and away from incompatible materials. Always follow institutional safety guidelines and dispose of chemical waste responsibly according to local regulations. This product is for Research Use Only and not for human or animal therapeutic or diagnostic use.
Related Products / Graph Discovery
Related products, derivatives, keywords, and application cues for catalog discovery.
Related products and analog discovery will be available as catalog graph data is expanded.