Research chemical
CAS Number: 1824021-63-7
Product details
For laboratory research and professional procurement workflows.
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
Appearance
Catalog navigation
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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.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
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
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.
Heavy atom count
18
H-bond acceptors
3
H-bond donors
0
Rotatable bonds
1
Ring count
1
Aromatic rings
1
Topological polar surface area
29.54 Ų
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
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
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.
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.
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