Sanika Chemicals Pvt Ltd | 4CH-024399 | End Use API | Intermediate

4CH-024399

Chemistry, 8 End Use API, 17 Related Intermediates

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2 Intermediates

2 Intermediates

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

1 2D Structure

4CH-024399

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 Formula	C₁₁H₉F₃O₂
Molecular Weight	230.18 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	230.05546401 g/mol
Monoisotopic Mass	230.05546401 g/mol
Topological Polar Surface Area	34.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	275
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

720-94-5

Intermediate Name

I-(4-MethylphenyI)-4,4,4-trifluorob...

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Sanika Chemicals Pvt. Ltd. is the fast growing company establishing a strong presence in the Domestic as ...

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 Quality of our Product, Services, Employee as well the social belonging. Our main strength is our People, who are highly motivated and reflect a perfect blend of Zeal and Commitment. We are committed to satisfy the needs of the customer and Proactive with the solutions of extended needs of the Customer. We are in the serve of Nation over a Decade and renowned by receiving an Award of Udyog Patra in year 2005.

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