Research chemical
CAS Number: 76769-07-8
Product details
For laboratory research and professional procurement workflows.
PubChem CID
2316094
Exact Mass
295.058691
InChIKey
YKSHSSFDOHACTC-SNVBAGLBSA-N
IUPAC Name
(2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoic acid
SMILES String
CC(C)[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)O
Appearance
(R)-2-((2-Chloro-4-(trifluoromethyl)phenyl)amino)-3-methylbutanoic acid is identified by CAS 76769-07-8, with molecular formula C12H13ClF3NO2, molecular weight 295.68, InChIKey YKSHSSFDOHACTC-SNVBAGLBSA-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
150.0 °C
Boiling Point
350.0 °C
Density
1.33 g/cm³
Water Solubility
sparingly soluble
Flash Point
160.2 °C
Vapor Pressure
Estimated very low; unit not specified
Autoignition Temp
380.0 °C
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
19
H-bond acceptors
3
H-bond donors
2
Rotatable bonds
4
Ring count
1
Aromatic rings
1
Topological polar surface area
49.33 Ų
Computed LogP
3.88
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
A chiral amino acid derivative, (R)-2-((2-Chloro-4-(trifluoromethyl)phenyl)amino)-3-methylbutanoic acid, is a research chemical with a chlorinated and trifluoromethylated phenyl group.
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). Potential applications include: As a chiral building block in organic synthesis, particularly for the preparation of complex molecules with defined stereochemistry.
Documentation needs
Handle with care in a well-ventilated area or fume hood. Avoid inhalation, ingestion, and skin or eye contact. Wear appropriate personal protective equipment, including safety goggles, gloves, and a lab coat.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
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.
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.