Research chemical
CAS Number: 5685-70-1
Product details
For laboratory research and professional procurement workflows.
PubChem CID
790784
Exact Mass
291.102607
InChIKey
ACINXBSQEJQNBM-UHFFFAOYSA-N
SMILES String
CCCc1c(C)nc2ccc(C(=O)OCC)cc2c1Cl
Appearance
White to off-white solid
Physical State
Solid
Ethyl 4-chloro-2-methyl-3-propylquinoline-6-carboxylate is identified by CAS 5685-70-1, with molecular formula C16H18ClNO2, molecular weight 291.77, InChIKey ACINXBSQEJQNBM-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.
Melting Point
95.0 °C
Boiling Point
390.0 °C
Density
1.22 g/cm³
Water Solubility
Slightly soluble
Flash Point
199.4 °C
Vapor Pressure
Estimated value, 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
20
H-bond acceptors
3
H-bond donors
0
Rotatable bonds
4
Ring count
2
Aromatic rings
2
Topological polar surface area
39.19 Ų
Computed LogP
4.33
Fragment-like structure rule
Yes
Lead-like structure rule
No
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
Ethyl 4-chloro-2-methyl-3-propylquinoline-6-carboxylate is a quinoline derivative featuring chloro, methyl, propyl, and ethyl carboxylate substituents.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
For research use only (RUO). This quinoline derivative can be utilized as a chemical intermediate or building block in organic synthesis, particularly for developing novel compounds with potential biological activity or for material science research.
Documentation needs
Handle Ethyl 4-chloro-2-methyl-3-propylquinoline-6-carboxylate in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including safety goggles, gloves, and a lab coat, to prevent skin and eye 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.