structure of 3'-TRIFLUOROMETHYLBIPHENYL-4-CARBALDEHYDE

3'-TRIFLUOROMETHYLBIPHENYL-4-CARBALDEHYDE

CAS No.: 100036-64-4
M. Wt: 250.21600
M. Fa: C14H9F3O
InChI Key: WRWNNARTYPYHEC-UHFFFAOYSA-N

Names and Identifiers of 100036-64-4

CAS Number

100036-64-4

MDL Number

MFCD03424645

IUPAC Name

4-[3-(trifluoromethyl)phenyl]benzaldehyde

InChI

InChI=1S/C14H9F3O/c15-14(16,17)13-3-1-2-12(8-13)11-6-4-10(9-18)5-7-11/h1-9H

InChIKey

WRWNNARTYPYHEC-UHFFFAOYSA-N

Canonical SMILES

O=CC1=CC=C(C2=CC=CC(C(F)(F)F)=C2)C=C1

UNSPSC Code

12352100

Physical and chemical properties of 100036-64-4

Boiling Point

333.9ºC at 760 mmHg

Density

1.251g/cm3

Exact Mass

250.06100

Flash Point

161.6ºC

Index of Refraction

1.538

LogP

4.18490

Molecular Formula

C14H9F3O

Molecular Weight

250.21600

PSA

17.07000

Sensitivity

Air Sensitive

Vapour Pressure

0.000132mmHg at 25°C

Safety Information of 100036-64-4

Pictograms

Signal Word

Warning

Safety Data Sheet

Supports customized editing of SDS information and downloading in PDF documents.

Applications of 100036-64-4

3'-Trifluoromethylbiphenyl-4-carbaldehyde has several applications in:

  • Organic Synthesis: Used as an intermediate in the synthesis of more complex organic molecules.
  • Pharmaceutical Development: Potential precursor for drug candidates due to its unique electronic properties imparted by the trifluoromethyl group.
  • Material Science: May be utilized in developing advanced materials with specific electronic or optical properties.

Its unique structure allows it to serve as a versatile building block in various chemical transformations.

Retrosynthesis analysis of 100036-64-4

  • Route#1

    Cas:1122-91-4
    Cas:1423-26-3
    Cas:100036-64-4
  • Route#2

    Cas:104-88-1
    Cas:1423-26-3
    Cas:100036-64-4