Research chemical
Isopropyl 4-chloro-2-methylquinoline-6-carboxylate
CAS Number: 1018128-07-8
Product details
Identity & specification
- Molecular formula
- C14H14ClNO2
- Molecular weight
- 263.72 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
33730495
Exact Mass
263.071306
InChIKey
DSTAOHCQXOWKPQ-UHFFFAOYSA-N
IUPAC Name
propan-2-yl 4-chloro-2-methylquinoline-6-carboxylate
SMILES String
Cc1cc(Cl)c2cc(C(=O)OC(C)C)ccc2n1
Physical Properties
Appearance
White to off-white crystalline powder
Physical State
Solid
Melting Point
95.0 °C
Boiling Point
350.0 °C
Density
1.25 g/cm³
Water Solubility
Insoluble
Flash Point
191.7 °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
18
H-bond acceptors
3
H-bond donors
0
Rotatable bonds
2
Ring count
2
Aromatic rings
2
Topological polar surface area
39.19 Ų
Computed LogP
3.76
Fragment-like structure rule
Yes
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
Isopropyl 4-chloro-2-methylquinoline-6-carboxylate is a quinoline derivative featuring a chlorine substituent, a methyl group, and an isopropyl ester.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
This compound is suitable for research applications as a chemical intermediate or building block in organic synthesis.
Documentation needs
Always handle Isopropyl 4-chloro-2-methylquinoline-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.
Applications & Classification
Safety & Handling
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Procurement questions
What are the key identifiers for Isopropyl 4-chloro-2-methylquinoline-6-carboxylate (CAS 1018128-07-8)?
Isopropyl 4-chloro-2-methylquinoline-6-carboxylate is identified by CAS 1018128-07-8, with molecular formula C14H14ClNO2, molecular weight 263.72, InChIKey DSTAOHCQXOWKPQ-UHFFFAOYSA-N.
Can I request a COA for CAS 1018128-07-8?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for Isopropyl 4-chloro-2-methylquinoline-6-carboxylate?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 1018128-07-8 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.