MolGraphRequest Quote

Research chemical

1-(2-chloro-4-fluorobenzyl)-3-formyl-1H-indole-2-carboxylic acid

CAS Number: 903160-22-5

Chemical structure
1-(2-chloro-4-fluorobenzyl)-3-formyl-1H-indole-2-carboxylic acid molecular structure, CAS 903160-22-5

Product details

Identity & specification

Molecular formula
C17H11ClFNO3
Molecular weight
331.7 g/mol
Product type
Research-use catalog compound
Documentation
COA / SDS available by request

For laboratory research and professional procurement workflows.

Technical identifiers

Show PubChem, InChIKey, IUPAC, and SMILES

PubChem CID

3544178

Exact Mass

331.041149

InChIKey

QRWUUOQSJVTTHH-UHFFFAOYSA-N

IUPAC Name

1-[(2-chloro-4-fluorophenyl)methyl]-3-formylindole-2-carboxylic acid

SMILES String

O=Cc1c(C(=O)O)n(Cc2ccc(F)cc2Cl)c2ccccc12

Physical Properties

Appearance

White to off-white solid

Physical State

Solid

Melting Point

195.0 °C

Boiling Point

450.0 °C

Density

1.45 g/cm³

Water Solubility

>49.8 [ug/mL] (The mean of the results at pH 7.4)

Flash Point

280.0 °C

Show more physical data

Vapor Pressure

Estimated very low; unit not specified

Autoignition Temp

420.0 °C

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Computed Structure Descriptors

Show calculated structure fields

Heavy atom count

23

H-bond acceptors

4

H-bond donors

1

Rotatable bonds

4

Ring count

3

Aromatic rings

3

Topological polar surface area

59.3 Ų

Computed LogP

3.99

Fragment-like structure rule

No

Lead-like structure rule

Yes

Drug-like structure rule

Yes

Structure family

n heterocycle ligand

Precious metal motif

No

Transition metal motif

No

Phosphine ligand motif

No

N-heterocycle motif

Yes

Boronic acid motif

No

Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.

Catalog Facts

Structural features

This compound is a chloro-fluoro-substituted indole derivative featuring a formyl group and a carboxylic acid functionality. It is primarily offered for research and development purposes.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

This compound is suitable for various research applications, including synthetic organic chemistry as a versatile building block, medicinal chemistry for lead compound synthesis and modification, and biochemical studies exploring indole derivatives.

Documentation needs

Handle 1-(2-chloro-4-fluorobenzyl)-3-formyl-1H-indole-2-carboxylic acid in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including safety glasses, gloves, and a lab coat. Avoid inhalation, ingestion, and skin contact.

Applications & Classification

Research intermediateCustom synthesis building blockPharmaceutical intermediate researchResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow

Safety & Handling

Handling & Storage

  • Keep container tightly closed and dry.
  • Store in a well-ventilated place.
  • Avoid contact with skin and eyes.

PPE

Respiratory protection if needed

First Aid

  • Do not give anything to an unconscious person.
  • Rinse mouth with water.

Stability / Reactivity

  • Reactivity and stability.
  • Carbon monoxide, carbon dioxide, hydrogen chloride, hydrogen fluoride, nitrogen oxides.

Disposal

  • The product Remaining and non-recyclable solutions should be handed over to a licensed company for disposal.
  • Contact a professional agency with a waste disposal license to handle this substance.
Show additional safety reference fields

Fire Fighting

  • If necessary, wear a self-contained breathing apparatus for firefighting.

Accidental Release

  • Do not generate dust when collecting and disposing.
  • Sweep and shovel up.

For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

Preliminary Safety Reference

For supplier-issued SDS or COA, submit a documentation request.

Safety Reference / SDS Request

Procurement questions

What are the key identifiers for 1-(2-chloro-4-fluorobenzyl)-3-formyl-1H-indole-2-carboxylic acid (CAS 903160-22-5)?

1-(2-chloro-4-fluorobenzyl)-3-formyl-1H-indole-2-carboxylic acid is identified by CAS 903160-22-5, with molecular formula C17H11ClFNO3, molecular weight 331.7, InChIKey QRWUUOQSJVTTHH-UHFFFAOYSA-N.

Can I request a COA for CAS 903160-22-5?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for 1-(2-chloro-4-fluorobenzyl)-3-formyl-1H-indole-2-carboxylic acid?

Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.

Is CAS 903160-22-5 available for quotation?

Availability, pack size, lead time, and pricing are confirmed through RFQ.

Can MolGraph support bulk sourcing or custom synthesis review?

Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.