Research chemical

tert-Butyl methyl(3,4,5-trifluorophenyl)carbamate

CAS Number: 1824021-63-7

Product details

Identity & specification

Molecular formula: C12H14F3NO2
Molecular weight: 261.24 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

124203294

Exact Mass

261.097663

InChIKey

XGYXBJVURNVEJC-UHFFFAOYSA-N

IUPAC Name

tert-butyl N-methyl-N-(3,4,5-trifluorophenyl)carbamate

SMILES String

CN(C(=O)OC(C)(C)C)c1cc(F)c(F)c(F)c1

Physical Properties

Appearance

White solid

Physical State

Solid

Melting Point

105.0 °C

Boiling Point

320.0 °C

Density

1.3 g/cm³

Water Solubility

Slightly soluble

Flash Point

165.0 °C

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Vapor Pressure

Estimated value, unit not specified

Autoignition Temp

420.0 °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

29.54 Å²

Computed LogP

3.48

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

tert-Butyl methyl(3,4,5-trifluorophenyl)carbamate is a fluorinated carbamate compound, classified within the research-oriented chemical scaffold, making it a potential candidate for various research applications in medicinal chemistry and drug discovery.

Sourcing context

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

Research use context

This compound is intended for Research Use Only (RUO).

Documentation needs

Handle tert-Butyl methyl(3,4,5-trifluorophenyl)carbamate 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

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

PPE

Respiratory protection if needed

First Aid

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

Stability / Reactivity

Reactivity and stability.
Carbon monoxide, carbon dioxide, hydrogen fluoride, nitrogen oxides.

Disposal

The product The remaining and non-recyclable solutions 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

If necessary, wear a self-contained breathing apparatus for firefighting operations.

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

External Identifiers

starbld0014935

Documentation & Compliance Facts

Compliance Facts

HS Code: 292429

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, P280, P301+P312, P302+P352, P305+P351+P338

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

2,2,2-trifluoroethyl N-(2-ethyl-6-methylphenyl)carbamateCAS 1087788-62-2

2,2,2-trifluoroethyl N-[2-(propan-2-yl)phenyl]carbamateCAS 1087797-92-9

[Ethyl-(3-trifluoromethyl-benzyl)-amino]-acetic acidCAS 1183604-52-5

2,2,2-trifluoroethyl N-[3-(propan-2-yl)phenyl]carbamateCAS 1087788-76-8

2,2,2-Trifluoroethyl mesitylcarbamateCAS 1087788-81-5

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 tert-Butyl methyl(3,4,5-trifluorophenyl)carbamate (CAS 1824021-63-7)?

tert-Butyl methyl(3,4,5-trifluorophenyl)carbamate is identified by CAS 1824021-63-7, with molecular formula C12H14F3NO2, molecular weight 261.24, InChIKey XGYXBJVURNVEJC-UHFFFAOYSA-N.

Can I request a COA for CAS 1824021-63-7?

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

Can I request supplier SDS for tert-Butyl methyl(3,4,5-trifluorophenyl)carbamate?

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

Is CAS 1824021-63-7 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.