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Research chemical

Methyl 2-amino-2-(trifluoromethyl)but-3-ynoate

CAS Number: 1262414-79-8

Chemical structure
Methyl 2-amino-2-(trifluoromethyl)but-3-ynoate molecular structure, CAS 1262414-79-8

Product details

Identity & specification

Molecular formula
C6H6F3NO2
Molecular weight
181.11 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

57362543

Exact Mass

181.035063

InChIKey

PASRXXSJNAMYHP-UHFFFAOYSA-N

SMILES String

C#CC(N)(C(=O)OC)C(F)(F)F

Physical Properties

Appearance

white solid

Physical State

solid

Melting Point

75.0 °C

Boiling Point

205.0 °C

Density

1.3 g/cm³

Water Solubility

slightly soluble

Flash Point

95.0 °C

Show more physical data

Vapor Pressure

Estimated value, unit not specified

Autoignition Temp

400.0 °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

12

H-bond acceptors

3

H-bond donors

2

Rotatable bonds

1

Ring count

0

Aromatic rings

0

Topological polar surface area

52.32 Ų

Computed LogP

0.05

Fragment-like structure rule

Yes

Lead-like structure rule

Yes

Drug-like structure rule

Yes

Structure family

organic nitrogen ligand candidate

Precious metal motif

No

Transition metal motif

No

Phosphine ligand motif

No

N-heterocycle motif

No

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

Methyl 2-amino-2-(trifluoromethyl)but-3-ynoate is a trifluoromethylated amino acid derivative featuring an alkyne and an ester group, making it a versatile building block for synthetic organic chemistry research.

Sourcing context

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

Research use context

This compound is primarily used in research and development as a synthetic building block.

Documentation needs

Handle Methyl 2-amino-2-(trifluoromethyl)but-3-ynoate in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including gloves, eye protection, and a lab coat.

Applications & Classification

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

Safety & Handling

Handling & Storage

  • Keep container tightly closed and dry.
  • Store in a well-ventilated place.
  • Avoid contact with skin and eyes.

First Aid

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

Stability / Reactivity

  • Reactivity.
  • Carbon monoxide, carbon dioxide, hydrogen fluoride, nitrogen oxides.

Disposal

  • Dispose of remaining and non-recyclable solutions to a licensed company.
  • Contact a professional agency with 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

Procurement notes

Sourcing context and documentation notes

Show details

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 1262414-79-8 in stock?

Methyl 2-amino-2-(trifluoromethyl)but-3-ynoate 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 1262414-79-8?

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