CAS 3934-20-1

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Also known as: 3934-20-1, 2,4-dichloro-pyrimidine, 2,6-dichloropyrimidine, Pyrimidine, 2,4-dichloro-, 2,4-dichlorpyrimidin, 2,4-dichloro pyrimidine

Molecular Formula

C₄H₂Cl₂N₂

Molecular Weight

148.98 g/mol

InChI Key

BTTNYQZNBZNDOR-UHFFFAOYSA-N

FDA UNII

YV96122OCD

1 2D Structure

CAS 3934-20-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,4-dichloropyrimidine

2.1.2 InChI

InChI=1S/C4H2Cl2N2/c5-3-1-2-7-4(6)8-3/h1-2H

2.1.3 InChI Key

BTTNYQZNBZNDOR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CN=C(N=C1Cl)Cl

2.2 Other Identifiers

2.2.1 UNII

YV96122OCD

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 3934-20-1

2. 2,4-dichloro-pyrimidine

3. 2,6-dichloropyrimidine

4. Pyrimidine, 2,4-dichloro-

5. 2,4-dichlorpyrimidin

6. 2,4-dichloro Pyrimidine

7. Mfcd00006061

8. Pyrimidine,2,4-dichloro-

9. Yv96122ocd

10. Nsc-20212

11. Nsc-37531

12. Nsc-49119

13. 2-chloropyrimidin-4-yl Chloride

14. Pyrimidine,4-dichloro-

15. Nsc 20212

16. Einecs 223-508-6

17. Nsc 37531

18. Nsc 49119

19. 2,4dichloropyrimidine

20. 2,4 Dichlorpyrimidine

21. 2,4-dichloropyrimidin

22. 2,4-dichloropyrmidine

23. 2,4-dichlorpyrimidine

24. Pazopanib Intermediates

25. 2,4-dicloropyrimidine

26. 2,4 Dichloropyrimidine

27. 2.4-dichloropyrimidine

28. 2,4-dichloro-pyrmidine

29. 2, 4-dichloropyrimidine

30. 2,4 Dichloro Pyrimidine

31. 2,4- Dichloropyrimidine

32. 2,4-di-chloropyrimidine

33. 2,4-dichloropyri-midine

34. Ai3-26561

35. Dsstox_cid_29149

36. Dsstox_rid_83368

37. Unii-yv96122ocd

38. Dsstox_gsid_49293

39. Schembl63023

40. 2,4-dichloropyrimidine, 98%

41. Chembl3188699

42. Dtxsid9049293

43. 2-(2-benzothiazolylthiol)ethanol

44. Act05672

45. Albb-006256

46. Bcp27299

47. Cs-b0776

48. Nsc20212

49. Nsc37531

50. Nsc49119

51. Zinc1571020

52. Tox21_202830

53. Stk503789

54. Akos000280292

55. Ab00576

56. Ac-2499

57. Ps-5432

58. Ncgc00260376-01

59. Bp-12063

60. Sy001677

61. Cas-3934-20-1

62. Db-005858

63. A6589

64. Am20100038

65. D2310

66. Ft-0601414

67. J-640154

68. J-800157

69. W-106442

70. F0001-1106

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₄H₂Cl₂N₂
Molecular Weight	148.98 g/mol
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	147.9595035 g/mol
Monoisotopic Mass	147.9595035 g/mol
Topological Polar Surface Area	25.8 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	78.4
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