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Also known as: 720-94-5, 4,4,4-trifluoro-1-(p-tolyl)butane-1,3-dione, 1-(4-methylphenyl)-4,4,4-trifluorobutane-1,3-dione, L-(4-methylphenyl)-4,4,4-trifluorobutane-1,3-dione, 1,3-butanedione, 4,4,4-trifluoro-1-(4-methylphenyl)-, 4,4,4-trifluoro-1-[4-(methyl)phenyl]-butane-1,3-dione
Molecular Formula
C11H9F3O2
Molecular Weight
230.18  g/mol
InChI Key
WRZMHTIRFOFFPY-UHFFFAOYSA-N

CAS 720-94-5
1 2D Structure

CAS 720-94-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4,4,4-trifluoro-1-(4-methylphenyl)butane-1,3-dione
2.1.2 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
2.1.3 InChI Key
WRZMHTIRFOFFPY-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=CC=C(C=C1)C(=O)CC(=O)C(F)(F)F
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 720-94-5

2. 4,4,4-trifluoro-1-(p-tolyl)butane-1,3-dione

3. 1-(4-methylphenyl)-4,4,4-trifluorobutane-1,3-dione

4. L-(4-methylphenyl)-4,4,4-trifluorobutane-1,3-dione

5. 1,3-butanedione, 4,4,4-trifluoro-1-(4-methylphenyl)-

6. 4,4,4-trifluoro-1-[4-(methyl)phenyl]-butane-1,3-dione

7. 4,4,4-trifluoro-1-p-tolylbutane-1,3-dione

8. 4,4,4-trifluoro-1-p-tolyl-butane-1,3-dione

9. 4,4,4-trifluoro-1-(p-tolyl)-1,3-butanedione

10. 1-(4-methylphenyl)-4,4,4-triflurobutane-1,3-dione

11. 3-(4-methylbenzoyl)-1,1,1-trifluoroacetone

12. Mfcd00517909

13. 4,4,4-trifluoro-1-(4-methylphenyl)-1,3 Butanedione

14. Ec 615-712-2

15. Schembl1593867

16. Amy6849

17. Dtxsid00338613

18. 3-methylbut-2-enylformate

19. Act04868

20. Albb-006417

21. Bcp08844

22. Bbl010147

23. Stk298732

24. Akos000210504

25. Zinc100003183

26. Sb38445

27. As-11425

28. Sy038487

29. Ft-0632874

30. T2997

31. 1,3-butanedione, 4,4,4-trifluoro-1-p-tolyl-

32. 720m945

33. A837422

34. J-513961

35. 1-(4-methylphenyl)-4,4,4-trifluoro-1,3-butanedione

36. 4,4,4-trifluoro-1-(4-methylphenyl)-1,3-butanedione

37. 1-(4-methyl-phenyl)-4,4,4-trifluoro-butane-1,3-dione

38. 4,4,4-trifluoro-1-(4-methyl-phenyl)-butane-1,3-dione

39. 4,4,4-trifluoro-1-(4-methylphenyl)-1,3-butanedione #

40. 4,4,4-trifluoro-1-(4-methylphenyl)-butane-1,3-dione

41. 4-(4'-methylphenyl)-1,1,1-trifluoro-2,4-butanedione

42. 1-(4-methylphenyl)-4,4,4-trifluorobutane - 1,3- Dione

43. Benzene, 1-(3-trifluoromethyl-3-hydroxypropenoyl)-4-methyl-

44. 4,4,4-trifluoro-1-(4-methylphenyl)butane-1,3-dione, Aldrichcpr

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 230.18 g/mol
Molecular Formula C11H9F3O2
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass230.05546401 g/mol
Monoisotopic Mass230.05546401 g/mol
Topological Polar Surface Area34.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity275
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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SUPPLIERS

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01

Suanfarma

Spain
  • fda
  • EDQM
  • WHO-GMP

Virtual BoothSuanFarma is present in all origins: Natural, Chemical & Biotechnological.

1-(4-Methyl Phenyl)-4,4,4 Trifluorobutane-1,3-Dion...

CAS Number : 720-94-5

End Use API :

About the Company : Suanfarma founded in 1993, is a B2B life science partner committed to health & innovation by developing, manufacturing, & distributing high-quality APIs for the pharmaceutical industry ...

Suanfarma

02

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2024 ACI Convention
Not Confirmed
  • fda
  • EDQM
  • WHO-GMP

Virtual BoothFaran Shimi: Leading producer of high-quality APIs & alkaloid opiates, serving major pharmaceutical companies across the Middle East.

Celexocib (4,4,4-Trifluoro-1-(p-tolyl)Butane-1,3-d...

CAS Number : 720-94-5

End Use API :

About the Company : Faran Shimi Pharmaceutical Company, established in 2001 and affiliated with Golrang Pharmaceutical Investment Co, manufactures high-quality Active Pharmaceutical Ingredients (APIs) and ...

Faran Shimi Pharmaceutical

03

2024 ACI Convention
Not Confirmed
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2024 ACI Convention
Not Confirmed

l-(4-Methylphenyl)-4,4,4-trifluorobutane-1,3-dione

CAS Number : 720-94-5

End Use API :

About the Company : Founded in 1986, Kekule has developed from a manufacturer of few molecules to a preferred vendor for many complex molecules requiring multistage synthesis. Working with customers across...

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04

2024 ACI Convention
Not Confirmed
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NAM Group

India
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2024 ACI Convention
Not Confirmed

4,4,4-Trifluoro-1(4-Methyl Phenyl Piperazine Butan...

CAS Number : 720-94-5

End Use API :

About the Company : NAM Group of Industries is a prominent manufacturer and exporter of pharmaceutical API’s for both human and veterinary use, along with pharmaceutical intermediates. Our cutting-edge f...

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05

2024 ACI Convention
Not Confirmed
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Pluviaendo

Turkey
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2024 ACI Convention
Not Confirmed

Celexocib (4,4,4-Trifluoro-1-(p-tolyl)butane-1,3-d...

CAS Number : 720-94-5

End Use API :

About the Company : Pluvia Consumer Health is a multinational pharmaceutical company with its head office in Turkey/Istanbul & with unique molecules & know-how. Our portfolio contains several specific APIs...

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06

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2024 ACI Convention
Not Confirmed

1-(4-Methyl phenyl)-4,4,4-trifluorobutane-1,3-Dion...

CAS Number : 720-94-5

End Use API :

About the Company : Ramdev Chemicals Pvt. Ltd. is one of the fastest growing Active Pharmaceuticl Drugs, Drug Intermediates, Storage Fine Chemical Company in India which have specialty in Synthesis Molecul...

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07

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2024 ACI Convention
Not Confirmed

I-(4-MethylphenyI)-4,4,4-trifluorobutane-1,3- dion...

CAS Number : 720-94-5

End Use API :

About the Company : Sanika Chemicals Pvt. Ltd. is the fast growing company establishing a strong presence in the Domestic as well Global market as a reliable partner. We are very much concern with the Qual...

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08

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2024 ACI Convention
Not Confirmed

4,4,4-trifluoro-1-(4-methylphenyl)butane-1,3-dione...

CAS Number : 720-94-5

End Use API :

About the Company : Established in 2006, SPC Lifesciences is a truly knowledge driven and fully integrated pharmaceutical company creating global solutions. We are a dynamic chemical synthesis company asso...

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09

2024 ACI Convention
Not Confirmed
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SS Pharma

India
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2024 ACI Convention
Not Confirmed

4,4,4-Trifluoro 1-(4 Methylphenyl) Butane -1,3-Dio...

CAS Number : 720-94-5

End Use API :

About the Company : SS Pharmaceutical develops and manufactures active pharmaceutical ingredients (APIs), registered pharma intermediates, fine chemicals and pyridine derivatives for the domestic as well a...

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