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Research chemical

1H,5H-Benzo[ij]quinolizine-2-carboxylicacid, 8,9-difluoro-6,7-dihydro-5-methyl-1,7-dioxo-

CAS Number: 306935-69-3

Chemical structure
1H,5H-Benzo[ij]quinolizine-2-carboxylicacid, 8,9-difluoro-6,7-dihydro-5-methyl-1,7-dioxo- molecular structure, CAS 306935-69-3

Product details

Identity & specification

Molecular formula
C14H9F2NO4
Molecular weight
293.22 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

2729944

Exact Mass

293.049964

InChIKey

OGCXVLMNLBRCIN-UHFFFAOYSA-N

IUPAC Name

7,8-difluoro-12-methyl-4,10-dioxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid

SMILES String

CC1CC(=O)c2c(F)c(F)cc3c(=O)c(C(=O)O)cn1c23

Physical Properties

Appearance

crystalline solid, white to yellow

Physical State

solid

Melting Point

220.0 °C

Boiling Point

450.0 °C

Density

1.59 g/cm³

Water Solubility

sparingly soluble

Flash Point

249.2 °C

Show more physical data

Vapor Pressure

Estimated very low; unit not specified

Autoignition Temp

380.0 °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

21

H-bond acceptors

5

H-bond donors

1

Rotatable bonds

1

Ring count

3

Aromatic rings

2

Topological polar surface area

76.37 Ų

Computed LogP

2.13

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

This is a difluorinated quinolizine derivative with a carboxylic acid group, suitable for research applications. Its "druglike_bioactive_like" classification suggests potential interest in medicinal chemistry or drug discovery research.

Sourcing context

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

Research use context

This compound is primarily intended for research and development purposes, including medicinal chemistry, synthetic organic chemistry, and biochemical studies, especially where a difluorinated quinolizine scaffold is of interest.

Documentation needs

Handle with appropriate personal protective equipment (PPE) such as gloves, eye protection, and a lab coat. Use in a well-ventilated area or fume hood. 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

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 1H,5H-Benzo[ij]quinolizine-2-carboxylicacid, 8,9-difluoro-6,7-dihydro-5-methyl-1,7-dioxo- (CAS 306935-69-3)?

1H,5H-Benzo[ij]quinolizine-2-carboxylicacid, 8,9-difluoro-6,7-dihydro-5-methyl-1,7-dioxo- is identified by CAS 306935-69-3, with molecular formula C14H9F2NO4, molecular weight 293.22, InChIKey OGCXVLMNLBRCIN-UHFFFAOYSA-N.

Can I request a COA for CAS 306935-69-3?

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

Can I request supplier SDS for 1H,5H-Benzo[ij]quinolizine-2-carboxylicacid, 8,9-difluoro-6,7-dihydro-5-methyl-1,7-dioxo-?

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

Is CAS 306935-69-3 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.