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4-Cyano-3-fluorophenyl trans-4-ethylcyclohexanecarboxylate

CAS 90525-56-7Formula C16H18FNO2MW 275.32PubChem 50999313

4-Cyano-3-fluorophenyl trans-4-ethylcyclohexanecarboxylate is a fluorinated cyanophenyl ester of trans-4-ethylcyclohexanecarboxylic acid, primarily used as a research chemical. Its structure suggests potential utility in synthetic organic chemistry, particularly in the development of novel compounds within research-oriented and research-oriented structural categories.

Loading RDKit molecule structure...
InChIKey: XKPXEPFCVKWEML-UHFFFAOYSA-NC16H18FNO2 | MW 275.32

Chemical Identity

Molecular Formula

C16H18FNO2

Molecular Weight

275.32 g/mol

Exact Mass

275.132157

PubChem CID

50999313

IUPAC Name

(4-cyano-3-fluorophenyl) 4-ethylcyclohexane-1-carboxylate

SMILES String

CCC1CCC(C(=O)Oc2ccc(C#N)c(F)c2)CC1

Names & Synonyms

Trans-4-cyano-3-fluorophenyl 4-ethylcyclohexanecarboxylateC16H18FNO24-CYANO-3-FLUOROPHENYL (1S,4R)-4-ETHYLCYCLOHEXANE-1-CARBOXYLATE2cHCaAFCPXKPXEPFCVKWEML-UHFFFAOYSA-N
Show all synonyms
4-cyano-3-fluorophenyl 4-ethylcyclohexanecarboxylate(4-cyano-3-fluoro-phenyl) 4-ethylcyclohexanecarboxylate4-Cyano-3-fluorophenyl 4-ethylcyclohexane-1-carboxylateTRANS-4-ETHYL-CYCLOHEXANECARBOXYLIC ACID 4-CYANO-3-FLUORO-PHENYL ESTER
External Identifiers
MFCD11053368SCHEMBL8527966SCHEMBL8527968DTXSID90679466AKOS027381030DS-13314CS-0153906Trans-4-cyano-3-fluorophenyl4-ethylcyclohexanecarboxylate

Catalog Overview

This compound, 4-Cyano-3-fluorophenyl trans-4-ethylcyclohexanecarboxylate, is an organic chemical characterized by a cyano group and a fluorine atom on a phenyl ring, which is ester-linked to a trans-4-ethylcyclohexane moiety. With a molecular formula of C16H18FNO2 and a molecular weight of 275.32 g/mol, it is classified within the research-oriented and research-oriented structural buckets. Researchers may find this compound valuable as a synthetic intermediate or a building block for exploring new chemical entities, especially those requiring specific electronic and steric properties imparted by the fluoro and cyano substituents...

Use Context

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

This compound, 4-Cyano-3-fluorophenyl trans-4-ethylcyclohexanecarboxylate, is an organic chemical characterized by a cyano group and a fluorine atom on a phenyl ring, which is ester-linked to a trans-4-ethylcyclohexane moiety. With a molecular formula of C16H18FNO2 and a molecular weight of 275.32 g/mol, it is classified within the research-oriented and research-oriented structural buckets. Researchers may find this compound valuable as a synthetic intermediate or a building block for exploring new chemical entities, especially those requiring specific electronic and steric properties imparted by the fluoro and cyano substituents and the cyclohexyl ester.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

white solid

Physical State

solid

Melting Point

85.0 °C

Boiling Point

320.0 °C

Density

1.22 g/cm³

Water Solubility

1.51 × 10⁻⁵ mol/L

Flash Point

198.8 °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 with appropriate personal protective equipment (PPE) 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. Dispose of according to local regulations for chemical waste.

Related Products / Graph Discovery

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

Similar products (text references)

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Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 292690GHS Pictograms: GHS07Shipment review: Shipment details require review before fulfillment.

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