CAS 2234-16-4

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11 End Use APIs
36 Related Intermediates

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Also known as: 2234-16-4, 1-(2,4-dichlorophenyl)ethanone, 2,4-dichloroacetophenone, Ethanone, 1-(2,4-dichlorophenyl)-, 1-(2,4-dichlorophenyl)ethan-1-one, Acetophenone, 2',4'-dichloro-

Molecular Formula

C₈H₆Cl₂O

Molecular Weight

189.04 g/mol

InChI Key

XMCRWEBERCXJCH-UHFFFAOYSA-N

FDA UNII

T7F2608H5H

1 2D Structure

CAS 2234-16-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(2,4-dichlorophenyl)ethanone

2.1.2 InChI

InChI=1S/C8H6Cl2O/c1-5(11)7-3-2-6(9)4-8(7)10/h2-4H,1H3

2.1.3 InChI Key

XMCRWEBERCXJCH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=O)C1=C(C=C(C=C1)Cl)Cl

2.2 Other Identifiers

2.2.1 UNII

T7F2608H5H

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 2234-16-4

2. 1-(2,4-dichlorophenyl)ethanone

3. 2,4-dichloroacetophenone

4. Ethanone, 1-(2,4-dichlorophenyl)-

5. 1-(2,4-dichlorophenyl)ethan-1-one

6. Acetophenone, 2',4'-dichloro-

7. P-chloro-2-chloroacetophenone

8. Mfcd00000581

9. T7f2608h5h

10. Nsc-33945

11. 2,4-dichoroacetophenone

12. Einecs 218-780-8

13. Nsc 33945

14. 2,4-dichloro Acetophenone

15. Unii-t7f2608h5h

16. 2',4'-dichloro Phenyl Ethanone

17. 1-(2,4-dichloro-phenyl)-ethanone

18. O,p-dichloroacetophenone

19. Ec 218-780-8

20. 2`,4`-dichloroacetophenone

21. (2,4-dichlorophenyl)ethanone

22. 2',4'-dichloro Acetophenone

23. Schembl322161

24. 2,4-dichlorobenzeneacetaldehyde

25. Dtxsid1022182

26. 2',4'-dichloroacetophenone, 96%

27. Nsc33945

28. Str06706

29. Zinc1665976

30. 1-(2,4-dichlorophenyl)ethanone #

31. 1-(2,4-dichlorophenyl)-1-ethanone

32. Bbl027300

33. Stk397561

34. Akos000119380

35. Ac-2996

36. Cs-w015972

37. Ps-3392

38. 2-acetyl-5-chlorophenyl Chloride

39. Sy003527

40. Db-030786

41. A4797

42. Am20030380

43. D1490

44. Ft-0610033

45. S12308

46. J-507175

47. Q2813775

48. W-107482

49. F0850-6804

50. Z1250132259

51. 2 Inverted Exclamation Mark ,4 Inverted Exclamation Mark -dichloroacetophenone

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₆Cl₂O
Molecular Weight	189.04 g/mol
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	187.9795702 g/mol
Monoisotopic Mass	187.9795702 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	158
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