Research chemical

5-Methyl-2-((8-(trifluoromethyl)quinolin-4-yl)amino)thiophene-3-carboxylic acid

CAS Number: 39978-04-6

Product details

Identity & specification

Molecular formula: C16H11F3N2O2S
Molecular weight: 352.3 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

72942475

Exact Mass

352.049333

InChIKey

INZQXLVJYGQYPL-UHFFFAOYSA-N

IUPAC Name

5-methyl-2-[[8-(trifluoromethyl)quinolin-4-yl]amino]thiophene-3-carboxylic acid

SMILES String

Cc1cc(C(=O)O)c(Nc2ccnc3c(C(F)(F)F)cccc23)s1

Physical Properties

Appearance

White to off-white powder or crystalline solid

Physical State

Solid

Melting Point

180.0 °C

Boiling Point

480.0 °C

Density

1.35 g/cm³

Water Solubility

Slightly soluble

Flash Point

280.0 °C

Show more physical data

Vapor Pressure

Estimated value, unit not specified

Autoignition Temp

460.0 °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

H-bond acceptors

H-bond donors

Rotatable bonds

Ring count

Aromatic rings

Topological polar surface area

62.22 Å²

Computed LogP

5.07

Fragment-like structure rule

Lead-like structure rule

Drug-like structure rule

Yes

Structure family

n heterocycle ligand

Precious metal motif

Transition metal motif

Phosphine ligand motif

N-heterocycle motif

Yes

Boronic acid motif

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

5-Methyl-2-((8-(trifluoromethyl)quinolin-4-yl)amino)thiophene-3-carboxylic acid (CAS 39978-04-6) is a research-use chemical with the molecular formula C16H11F3N2O2S and a molecular weight of 352. 30.

Sourcing context

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

Research use context

This compound is intended for research and development purposes only.

Documentation needs

Handle 5-Methyl-2-((8-(trifluoromethyl)quinolin-4-yl)amino)thiophene-3-carboxylic acid with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Use in a well-ventilated area or fume hood to avoid inhalation.

Applications & Classification

Research intermediateCustom synthesis building blockPharmaceutical intermediate researchResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow

Safety & Handling

Handling & Storage

Store in a well-ventilated area.

PPE

Respiratory protection if needed

First Aid

Do not give anything to an unconscious person.
Rinse mouth with water.

Stability / Reactivity

and reaction activity.
carbon monoxide, carbon dioxide, hydrogen fluoride, nitrogen oxides, sulfur oxides.

Disposal

The remaining and non-recyclable solution should be handed over to a licensed company for disposal.
Contact a professional institution with a waste disposal license to handle this substance.

Show additional safety reference fields

Fire Fighting

Wear a self-contained breathing apparatus for firefighting operations if necessary.

Accidental Release

Do not generate dust when collecting and disposing.
Sweep and shovel up.

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

Synonyms & references

Names & Synonyms

5-Methyl-2-((8-(trifluoromethyl)quinolin-4-yl)amino)thiophene-3-carboxylicacid

External Identifiers

SB72888

Documentation & Compliance Facts

Compliance Facts

HS Code: 293499

Signal word: Warning

Supplier SDS reference cue; confirm supplier documentation before use.

GHS pictograms

Hazard statements: H302, H315, H319, H335

Supplier SDS hazard code reference; confirm full text in supplier documentation.

Precautionary statements: P261, P264, P270, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P330, P362, P403+P233, P501

Supplier SDS precautionary code reference; confirm full text in supplier documentation.

Compliance: standard-ruo

Shipment review: Required

Documentation available by request

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

Registration Status

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.

What happens after RFQ

1We review the CAS identity, quantity, and documentation request.
2We check sourcing options, supplier availability, COA/SDS, purity, pack size, and lead time.
3We review destination and shipment documentation needs when applicable.
4We follow up with a quotation or clarification request.

Text Reference Cues

Show non-linked catalog cues

Non-public related references

{[3-Cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}(phenyl)acetic acidCAS 921072-49-3

Benzyl 6-[(ethylamino)carbonyl]-4-(trifluoromethyl)-2-pyridinecarboxylateCAS 1209347-26-1

Ethyl 2-(difluoro(5-(trifluoromethyl)pyridin-2-yl)methyl)-1,3-thiazole-5-carboxylateCAS 2126178-80-9

5-[difluoro(trifluoromethoxy)methyl]-3-methyl-1-(4-methylbenzoyl)-4,5-dihydro-1H-pyrazol-5-olCAS 722463-38-9

2,8-Bis(trifluoromethoxy)dibenzothiopheneCAS 2833773-74-1

Non-public references are shown as text only and do not imply equivalence, availability, or shared use.

Procurement questions

What are the key identifiers for 5-Methyl-2-((8-(trifluoromethyl)quinolin-4-yl)amino)thiophene-3-carboxylic acid (CAS 39978-04-6)?

5-Methyl-2-((8-(trifluoromethyl)quinolin-4-yl)amino)thiophene-3-carboxylic acid is identified by CAS 39978-04-6, with molecular formula C16H11F3N2O2S, molecular weight 352.3, InChIKey INZQXLVJYGQYPL-UHFFFAOYSA-N.

Can I request a COA for CAS 39978-04-6?

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

Can I request supplier SDS for 5-Methyl-2-((8-(trifluoromethyl)quinolin-4-yl)amino)thiophene-3-carboxylic acid?

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

Is CAS 39978-04-6 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.