Research chemical
CAS Number: 1311992-94-5
Product details
For laboratory research and professional procurement workflows.
PubChem CID
91827776
Exact Mass
278.98949
InChIKey
PCUATKFTLUUDTG-UHFFFAOYSA-N
SMILES String
CC(C(=O)O)c1ccc2ncc(Br)cc2c1
Appearance
White solid
Physical State
Solid
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.
2-(3-Bromoquinolin-6-yl)propanoic acid is identified by CAS 1311992-94-5, with molecular formula C12H10BrNO2, molecular weight 280.12, InChIKey PCUATKFTLUUDTG-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
170.0 °C
Boiling Point
350.0 °C
Density
1.5 g/cm³
Water Solubility
Slightly soluble
Flash Point
250.0 °C
Vapor Pressure
Estimated very low; unit not specified
Autoignition Temp
450.0 °C
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
16
H-bond acceptors
3
H-bond donors
1
Rotatable bonds
2
Ring count
2
Aromatic rings
2
Topological polar surface area
50.19 Ų
Computed LogP
3.19
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.
Structural features
2-(3-Bromoquinolin-6-yl)propanoic acid is a bromoquinoline derivative with a propanoic acid group.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
This bromoquinoline derivative is suitable for use as a chemical intermediate or a scaffold in synthetic organic chemistry.
Documentation needs
Handle 2-(3-Bromoquinolin-6-yl)propanoic acid in a well-ventilated area or fume hood. Wear appropriate personal protective equipment (PPE), including safety goggles, gloves, and a lab coat, to prevent skin and eye contact. Avoid inhalation of dust or vapors.
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