Research chemical

[5-[(4-fluorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl propionate

CAS Number: 956705-45-6

Product details

Identity & specification

Molecular formula: C15H14F4N2O2S
Molecular weight: 362.3 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

1478763

Exact Mass

362.071212

InChIKey

UZISXOAOEYHJHI-UHFFFAOYSA-N

IUPAC Name

[5-(4-fluorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl propanoate

SMILES String

CCC(=O)OCc1c(C(F)(F)F)nn(C)c1Sc1ccc(F)cc1

Physical Properties

Appearance

White to off-white crystalline powder

Physical State

Solid

Melting Point

95.0 °C

Boiling Point

380.0 °C

Density

1.35 g/cm³

Water Solubility

Very slightly soluble

Flash Point

190.0 °C

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Vapor Pressure

Estimated very low; unit not specified

Autoignition Temp

350.0 °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

44.12 Å²

Computed LogP

4.18

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

A complex organic compound featuring a fluorophenyl sulfanyl group, a methyl-trifluoromethyl pyrazole core, and a propionate ester, primarily for research applications in medicinal chemistry.

Sourcing context

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

Research use context

This compound is suitable for various research applications, including medicinal chemistry, lead compound identification, SAR studies, and the synthesis of more complex molecules.

Documentation needs

Handle with appropriate personal protective equipment (PPE), including 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.

Synonyms & references

Names & Synonyms

{5-[(4-fluorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl}methyl propanoateREGID_for_CID_1478763HMS2428G145G-315S{5-[(4-fluorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl}methylpropanoate

External Identifiers

CHEMBL ID: CHEMBL1472356MLS000546844CHEMBL1472356AKOS005092653SMR000180042

Documentation & Compliance Facts

Compliance Facts

HS Code: 293399

GHS pictograms

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.

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

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Non-public related references

(2Z)-7-methoxy-2-{[4-(trifluoromethyl)phenyl]imino}-2H-chromene-3-carboxamideCAS 325856-89-1

3-[4-(4-Methoxyphenyl)piperazin-1-yl]-5-(trifluoromethyl)pyridine-2-carbonitrileCAS 338968-21-1

4-Methoxy-2-{4-[3-(trifluoromethyl)phenyl]piperazino}nicotinonitrileCAS 339102-59-9

4-hydroxy-1-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamideCAS 327098-22-6

3-Quinolinecarboxamide, 1,2-dihydro-4-hydroxy-1-methyl-2-oxo-N-(3-(trifluoromethyl)phenyl)-CAS 75483-07-7

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

Procurement notes

Sourcing context and documentation notes

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MolGraph uses public price and availability evidence as a starting point, then confirms current stock, quotation, COA/SDS, lot specification, lead time, and shipment documentation before final acceptance.

Package and specification

Use the quote panel for visible public options. Additional quantities or specifications can be reviewed by RFQ.

Final lot confirmation

Purity, lot identity, and batch-specific documentation are confirmed before procurement decisions.

Supply documentation

Supplier-issued COA and SDS can be requested before handling, storage, shipment, or procurement decisions.

Quotation review

Final quote depends on quantity, lead time, destination, and supplier confirmation.

Procurement questions

Is CAS 956705-45-6 in stock?

[5-[(4-fluorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl propionate is in stock. Estimated delivery: 5–9 business days. Submit an RFQ to confirm final price, lot specification, documentation, and destination-specific shipping terms.

How is the final price confirmed?

The page shows a public reference price in the quote panel. Submit an RFQ to confirm current price, quantity breaks, lead time, and destination-specific shipping requirements.

Can MolGraph provide COA or SDS for CAS 956705-45-6?

Yes. Supplier-issued COA and SDS can be requested during the RFQ workflow. Lot-specific documents depend on supplier and batch confirmation.