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Mdl-105519

CAS 161230-88-2Formula C18H11Cl2NO4MW 376.2PubChem 6603913

MDL-105519 (CAS 161230-88-2) is a dichloro-substituted indole dicarboxylic acid derivative with the formula C18H11Cl2NO4. This compound is suitable for research applications as a chemical building block or for investigating its potential biological activities in medicinal chemistry and biochemical studies. It is provided for Research Use Only.

Loading RDKit molecule structure...
InChIKey: LPWVUDLZUVBQGP-DHZHZOJOSA-NC18H11Cl2NO4 | MW 376.2

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

Mdl 105519MDL 105,519PP86UX2L28MDL105,5191H-Indole-2-carboxylic acid, 3-[(1E)-2-carboxy-2-phenylethenyl]-4,6-dichloro-
Show all synonyms
(E)-3-(2-Carboxy-2-phenylvinyl)-4,6-dichloro-1H-indole-2-carboxylic acidmdl-105,5193-((1E)-2-Carboxy-2-phenylethenyl)-4,6-dichloro-1H-indole-2-carboxylic acid3-[(1e)-2-carboxy-2-phenylethenyl]-4,6-dichloro-1h-indole-2-carboxylic acidLopac-M-216(E)-4,6-Dichloro-3-(2-phenyl-2-carboxyethenyl)indole-2-carboxylic acidLopac0_000805HMS3262B11Tox21_500805
External Identifiers
MDL-105519Mdl105519RefChem:925400SCHEMBL499902CHEMBL180427orb1707001SCHEMBL31202552DTXSID101017669GLXC-06593AKOS027324667CCG-204889CS-3882FC65085LP00805

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

Estimated

Estimated / 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

Research intermediateCustom synthesis building block

Biological Target Reference

No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.

Preliminary Safety-Style Reference

Preliminary

Preliminary 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.

Similar products (text references)

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303996-21-6CAS 303996-21-6

Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 29339990GHS Pictograms: GHS07Shipment review: Shipment details require review before fulfillment.

Compliance cues are non-linked reference tags and require shipment review.

Catalog navigation

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.