CONTACT US

Tel:
Fax:
Address:
Email: For product inquiries or a copy of our product catalog, please use our online system or send an email to .

chemistry partner

4,4,4-Trifluoro-1-(p-tolyl)butane-1,3-dione

Catalog Number
ACM720945-2
Product Name
4,4,4-Trifluoro-1-(p-tolyl)butane-1,3-dione
Structure
{[CurrentData.Name]}
CAS
720-94-5
  • Product Overview
  • Usage
Synonyms
4,4,4-Trifluoro-1-(p-tolyl)-1,3-butanedione; SC-17246; l-(4-Methylphenyl)-4,4,4-trifluorobutane-1,3-dione; KS-00000JNM; MFCD00517909 (97%); 1-(4-Methylphenyl)-4,4,4-trifluorobutane - 1,3- dione; 4,4,4-trifluoro-1-(p-tolyl)butane-1,3-dione; SY038487; ACT04868; ANW-73998;
IUPAC Name
4,4,4-trifluoro-1-(4-methylphenyl)butane-1,3-dione;
Molecular Weight
230.186g/mol
Molecular Formula
C11H9F3O2;
Canonical SMILES
CC1=CC=C(C=C1)C(=O)CC(=O)C(F)(F)F;
InChI
InChI=1S/C11H9F3O2/c1-7-2-4-8(5-3-7)9(15)6-10(16)11(12,13)14/h2-5H,6H2,1H3;
InChI Key
WRZMHTIRFOFFPY-UHFFFAOYSA-N;
Storage
-20°C Freezer
Complexity
275
Covalently-Bonded Unit Count
1
EC Number
615-712-2
Exact Mass
230.055g/mol
H-Bond Acceptor
5
Heavy Atom Count
16
Monoisotopic Mass
230.055g/mol
Rotatable Bond Count
3
Topological Polar Surface Area
34.1A^2
Application
4,4,4-Trifluoro-1-(p-tolyl)butane-1,3-dione serves as a crucial intermediate in the synthesis of Celecoxib, commonly known by its brand name Celebrex. This compound, characterized by its pale yellow solid form, plays an essential role in the production pathway of this nonsteroidal anti-inflammatory drug (NSAID), which is used to alleviate pain and inflammation in various medical conditions.
If you have any other questions or need other size, please get a quote.
  • CAS
  • Size
  • Purity
  • Price
  • Quantity
  • Order
※ Please kindly note that our products are for research use only.

Share

Interested in our Services & Products? Need detailed information?
facebook twitter linkedin

Contact us

Email:
Tel:
Fax:
Address: