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2-{[2-Chloro-4-(trifluoromethyl)phenyl]amino}-3-methylbutanoic acid

CAS 76338-73-3Formula C12H13ClF3NO2MW 295.68PubChem 3947643

2-{[2-Chloro-4-(trifluoromethyl)phenyl]amino}-3-methylbutanoic acid (CAS 76338-73-3) is a valine derivative featuring a chlorotrifluoromethylphenyl group. This research-use chemical is primarily of interest as a pharmaceutical intermediate or for medicinal chemistry studies due to its research-oriented structural characteristics.

Loading RDKit molecule structure...
InChIKey: YKSHSSFDOHACTC-UHFFFAOYSA-NC12H13ClF3NO2 | MW 295.68

Chemical Identity

Molecular Formula

C12H13ClF3NO2

Molecular Weight

295.68 g/mol

Exact Mass

295.058691

PubChem CID

3947643

IUPAC Name

2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoic acid

SMILES String

CC(C)C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)O

Names & Synonyms

2-[[2-Chloro-4-(trifluoromethyl)phenyl]amino]-3-methylbutanoic Acid2-((2-chloro-4-(trifluoromethyl)phenyl)amino)-3-methylbutanoic acid831-995-7(2-Chloro-4-(trifluoromethyl)phenyl)valineValine, N-(2-chloro-4-(trifluoromethyl)phenyl)-
Show all synonyms
Enamine_0000852-(2-Chloro-4-trifluoromethyl-phenylamino)-3-methyl-butyric acid2-(2-CHLORO-4-(TRIFLUOROMETHYL)ANILINO)-3-METHYLBUTANOIC ACID(2R)-2-{[2-CHLORO-4-(TRIFLUOROMETHYL)PHENYL]AMINO}-3-METHYLBUTANOIC ACIDHMS1394D192-(2-chloro-4-trifluoromethylphenylamino)-3-methylbutanoic acidG26453AH-034/11964158F641291N-[-2-chloro-4-(trifluoromethyl)-phenyl]-dl-valine
External Identifiers
DTXSID901349238RefChem:483865DTXCID70212678MFCD00498470SCHEMBL5598919BDA33873AKOS000114568AKOS016875224SY131173DB-216302CS-0218112EN300-00168

Catalog Overview

2-{[2-Chloro-4-(trifluoromethyl)phenyl]amino}-3-methylbutanoic acid, identified by CAS 76338-73-3, is an organic compound with the molecular formula C12H13ClF3NO2 and a molecular weight of 295.68 g/mol. This molecule features a valine backbone substituted with a 2-chloro-4-(trifluoromethyl)phenyl group. Its structural characteristics suggest its utility in synthetic organic chemistry, particularly as a building block for the synthesis of more complex molecules or as a scaffold for structure-activity relationship studies in medicinal chemistry research.

Use Context

  • Research chemical sourcing
  • Custom synthesis and catalog availability review
  • COA, SDS, pricing, and fulfillment workflow

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

white crystalline solid

Physical State

solid

Melting Point

128.0 °C

Boiling Point

345.0 °C

Density

1.33 g/cm³

Water Solubility

sparingly soluble

Flash Point

160.2 °C

Applications / Classifications

Research intermediateCustom synthesis building block

Biological Target Reference

No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.

Preliminary Safety-Style Reference

Preliminary

Preliminary safety-style information for reference only. Not a supplier SDS.

Handling and Storage
  • Handle 2-{[2-Chloro-4-(trifluoromethyl)phenyl]amino}-3-methylbutanoic acid with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Use in a well-ventilated area or fume hood to avoid inhalation. Avoid contact with skin and eyes. In case of contact, rinse immediately with plenty of water. Store in a cool, dry place, away from incompatible materials. Always refer to the Safety Data Sheet (SDS) for comprehensive safety information before use.

Related Products / Graph Discovery

Related products, derivatives, keywords, and application cues for catalog discovery.

Similar products (text references)

(R)-2-((2-Chloro-4-(trifluoromethyl)phenyl)amino)-3-methylbutanoic acidCAS 76769-07-8
L-Valine, N-[2-chloro-4-(trifluoromethyl)phenyl]-CAS 74971-63-4
1240622-62-1CAS 1240622-62-1
1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acidCAS 112811-72-0
1099597-83-7CAS 1099597-83-7

Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 292249GHS Pictograms: GHS07Shipment review: Shipment details require review before fulfillment.

Compliance cues are non-linked reference tags and require shipment review.