Research chemical
CAS Number: 903160-22-5
Product details
For laboratory research and professional procurement workflows.
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
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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.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
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
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.
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.
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.
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 RequestCompliance: standard-ruo
Shipment review: Required
Certificate of Analysis (COA): By request
Supplier Safety Data Sheet (SDS): By request
Purity and pack size confirmation: By request
Availability and lead time review: Confirmed by RFQ
Shipment documentation review: By request
For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference
DSL: pending; AICS: pending; ENCS: pending; ICSR: pending; TSCA: pending; IECSC: pending; INSQR: pending; REACH: pending; K-REACH: pending; SEA_Regulatory: pending
Registration values are catalog reference status cues and may require jurisdiction-specific review.
Non-public references are shown as text only and do not imply equivalence, availability, or shared use.