1,3-bis(chloranyl)propan-2-one

1. Also known as: 534-07-6, 1,3-dichloro-2-propanone, 1,3-dichloropropanone, 1,3-dichloropropan-2-one, Sym-dichloroacetone, Bis(chloromethyl) ketone

Molecular Formula

C₃H₄Cl₂O

Molecular Weight

126.97 g/mol

InChI Key

SUNMBRGCANLOEG-UHFFFAOYSA-N

FDA UNII

UFH8559WS5

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,3-dichloropropan-2-one

2.1.2 InChI

InChI=1S/C3H4Cl2O/c4-1-3(6)2-5/h1-2H2

2.1.3 InChI Key

SUNMBRGCANLOEG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C(C(=O)CCl)Cl

2.2 Other Identifiers

2.2.1 UNII

UFH8559WS5

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1,3-dichloro-2-propanone

2. 1,3-dichloropropanone

2.3.2 Depositor-Supplied Synonyms

1. 534-07-6

2. 1,3-dichloro-2-propanone

3. 1,3-dichloropropanone

4. 1,3-dichloropropan-2-one

5. Sym-dichloroacetone

6. Bis(chloromethyl) Ketone

7. S-dichloroacetone

8. 2-propanone, 1,3-dichloro-

9. Bis(chloromethyl)ketone

10. Bischloromethyl Ketone

11. 1,3-dichloro-propan-2-one

12. Chloromethyl Ketone

13. Ufh8559ws5

14. .alpha.,.alpha.'-dichloroacetone

15. Nsc-8745

16. Dsstox_cid_1577

17. Dsstox_rid_76217

18. Dsstox_gsid_21577

19. Acetone, 1,3-dichloro

20. Cas-534-07-6

21. 1,3-dichloroacetona

22. Ccris 1942

23. 1,3-dichloroacetona [spanish]

24. Dichloro-1,3 Acetone [french]

25. Hsdb 6391

26. Dichloro-1,3 Acetone

27. Nsc 8745

28. Einecs 208-585-6

29. Un2649

30. Alpha,gamma-dichloroacetone

31. Brn 0605456

32. Unii-ufh8559ws5

33. 2-propanone,1,3-dichloro-

34. 1,3-dichloracetone

35. 1,3 Dichloroacetone

36. 1.3-dichloroacetone

37. 1 ,3-dichloroacetone

38. 1,3-di-chloroacetone

39. 1,3-dichloro Acetone

40. 1,3-dichloro-acetone

41. Chlorometyl-ketone

42. 2-propanone,3-dichloro-

43. Alpha,alpha'-dichloroacetone

44. 1,3-dichloro -2-propanone

45. Schembl30570

46. 4-01-00-03219 (beilstein Handbook Reference)

47. Chembl1231783

48. Dtxsid2021577

49. .alpha.,.gamma.-dichloroacetone

50. 1,3-dichloroacetone, >=95%

51. 1,3-bis(chloranyl)propan-2-one

52. Nsc8745

53. Chebi:156485

54. 1,3-dichloroacetone [mi]

55. Zinc1648213

56. Tox21_201433

57. Tox21_302809

58. Bischloromethyl Ketone [hsdb]

59. Mfcd00000937

60. Stl163858

61. Akos000120303

62. Ncgc00249044-01

63. Ncgc00256565-01

64. Ncgc00258984-01

65. As-39890

66. 1,3-dichloroacetone [un2649] [poison]

67. D0401

68. A829568

69. Q-200075

70. Q4917164

71. F0001-1383

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₃H₄Cl₂O
Molecular Weight	126.97 g/mol
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	125.9639201 g/mol
Monoisotopic Mass	125.9639201 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	46.8
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

4 Pharmacology and Biochemistry

4.1 Absorption, Distribution and Excretion

... Readily absorbed through the intact skin of rats and humans.

Gosselin, R.E., R.P. Smith, H.C. Hodge. Clinical Toxicology of Commercial Products. 5th ed. Baltimore: Williams and Wilkins, 1984., p. II-303

Technical details about 1,3-bis(chloranyl)propan-2-one, learn more about the structure, uses, toxicity, action, side effects and more

Chemistry

4 End Use API

20 Related Intermediates

Manufacturers/Suppliers

4 Suppliers

1,3-bis(chloranyl)propan-2-one