Research chemical

4-Chloro-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile

CAS Number: 959271-96-6

Product details

Identity & specification

Molecular formula: C12H6ClF3N2O
Molecular weight: 286.63 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

6421032

Exact Mass

286.012075

InChIKey

MJVGKFJOTCTMDJ-UHFFFAOYSA-N

SMILES String

COc1ccc2nc(C(F)(F)F)c(C#N)c(Cl)c2c1

Physical Properties

Appearance

White crystalline powder

Physical State

Solid

Melting Point

165.0 °C

Boiling Point

330.0 °C

Density

1.51 g/cm³

Water Solubility

Insoluble

Flash Point

159.9 °C

Show more physical data

Vapor Pressure

Estimated value, unit not specified

Autoignition Temp

410.0 °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

45.91 Å²

Computed LogP

3.79

Fragment-like structure rule

Yes

Lead-like structure rule

Yes

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

A quinoline derivative featuring chloro, methoxy, trifluoromethyl, and carbonitrile functionalities, 4-Chloro-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile (CAS 959271-96-6) is a research-use chemical.

Sourcing context

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

Research use context

This quinoline derivative is suitable for research applications in organic synthesis, medicinal chemistry, and materials science.

Documentation needs

Handle 4-Chloro-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile 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

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 chloride, hydrogen fluoride, nitrogen 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

Use self-contained breathing apparatus 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

4-Chloro-6-methoxy-2-(trifluoromethyl)-quinoline-3-carbonitrileMJVGKFJOTCTMDJ-UHFFFAOYSA-N4-Chloro-6-methoxy-2-trifluoromethylquinoline-3-carbonitrile

External Identifiers

DSSTOX SUBSTANCE ID: DTXSID00423598WIKIDATA ID: Q82235841DTXSID00423598AKOS005263934SB69929DB-080375

Documentation & Compliance Facts

Compliance Facts

HS Code: 293349

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

Ethyl 2-(4-chloro-2,6-difluorophenoxy)-2,2-difluoroacetateCAS 2137629-42-4

2-(Chlorodifluoromethyl)-5-(trifluoromethoxy)-1H-benzimidazoleCAS 1210386-82-5

2-Amino-4-bromo-5-chloro-3,6-difluoro-benzoic acidCAS 2387928-70-1

4-(Difluoromethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidineCAS 2877636-15-0

731011-87-3CAS 731011-87-3

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 4-Chloro-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile (CAS 959271-96-6)?

4-Chloro-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile is identified by CAS 959271-96-6, with molecular formula C12H6ClF3N2O, molecular weight 286.63, InChIKey MJVGKFJOTCTMDJ-UHFFFAOYSA-N.

Can I request a COA for CAS 959271-96-6?

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

Can I request supplier SDS for 4-Chloro-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile?

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

Is CAS 959271-96-6 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.