CAS 84-58-2

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Also known as: 84-58-2, Dichlorodicyanoquinone, 4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile, Dichlorodicyanobenzoquinone, 2,3-dichloro-5,6-dicyano-p-benzoquinone, 2,3-dichloro-5,6-dicyanobenzoquinone

Molecular Formula

C₈Cl₂N₂O₂

Molecular Weight

227.00 g/mol

InChI Key

HZNVUJQVZSTENZ-UHFFFAOYSA-N

FDA UNII

1H5KD39UH7

1 2D Structure

CAS 84-58-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile

2.1.2 InChI

InChI=1S/C8Cl2N2O2/c9-5-6(10)8(14)4(2-12)3(1-11)7(5)13

2.1.3 InChI Key

HZNVUJQVZSTENZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C(#N)C1=C(C(=O)C(=C(C1=O)Cl)Cl)C#N

2.2 Other Identifiers

2.2.1 UNII

1H5KD39UH7

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2,3-ddq

2. 2,3-dichloro-5,6-dicyanobenzoquinone

3. Dichlorodicyanobenzoquinone

2.3.2 Depositor-Supplied Synonyms

1. 84-58-2

2. Dichlorodicyanoquinone

3. 4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile

4. Dichlorodicyanobenzoquinone

5. 2,3-dichloro-5,6-dicyano-p-benzoquinone

6. 2,3-dichloro-5,6-dicyanobenzoquinone

7. Dichlorodicyano-p-benzoquinone

8. 1,4-cyclohexadiene-1,2-dicarbonitrile, 4,5-dichloro-3,6-dioxo-

9. Ddq

10. 2,3-dichloro-5,6-dicyanoquinone

11. 2,3-dichloro-5,6-dicyano-p-quinone

12. 4,5-dichloro-3,6-dioxo-1,4-cyclohexadiene-1,2-dicarbonitrile

13. 2,3-dicyano-5,6-dichlorobenzoquinone

14. 5,6-dichloro-2,3-dicyano-p-benzoquinone

15. 5,6-dicyano-2,3-dichloro-p-benzoquinone

16. 2,3-dicyano-5,6-dichloro-1,4-benzoquinone

17. 1,2-dichloro-4,5-dicyanobenzoquinone

18. Nsc 401087

19. 1h5kd39uh7

20. Nsc-401087

21. 1,2-dichloro-4,5-dicyano-p-benzoquinone

22. Potassiumhexafluorophosphate

23. 1,2-dicarbonitrile-4,5-dichloro-3,6-dioxo-1,4-cyclohexadiene

24. Ccris 7154

25. Einecs 201-542-2

26. Mfcd00001593

27. Unii-1h5kd39uh7

28. 2,6-dicyanoquinone

29. 2,3-dichloro-5,6-dicyano-1,4-benzoquinone (ddq)

30. 1,5-dicyanobenzoquinone

31. 2,6-dicyanobenzoquinone

32. Dichlordicyanobenzoquinone

33. Dicyanodichlorobenzoquinone

34. Dichlorodicyanobenzo-quinone

35. Schembl2952

36. Dichloro Dicyano Benzoquinone

37. Dichloro-dicyano Benzoquinone

38. 2,3-dichloro-5,6-dicyano-1,4-benzoquinone(ddq)

39. 2,5,6-dichlorodicyanoquinone

40. Chembl3759231

41. Dtxsid7052577

42. 2,3,5,6-dichlorodicyanoquinone

43. Dichloro-5,6-dicyanobenzoquinone

44. Zinc154474

45. 4,5-dichloro-3,6-dioxo-cyclohexa-1,4-diene-1,2-dicarbonitrile

46. Amy12577

47. Str03074

48. Nsc401087

49. Stl185622

50. 2,3 Dichloro-5,6-dicyanobenzoquinone

51. 2,3-dichloro 5,6-dicyanobenzoquinone

52. Akos000120598

53. 2,3 Dichloro,5,6 Dicyano-benzoquinone

54. 2,3-chloro-5,6-dicyanoquinone

55. 2,3-dichloro-5,6-dicyano-benzoquinone

56. 2,3-dichloro-5,6-dicyanobenzo-quinone

57. Dichloro-5,6-dicyano-1,4-benzoquinone

58. 2,3-dichlor-5,6-dicyano-p-benzoquinone

59. 2,3-dichloro-5,6-dicyanop-benzoquinone

60. 2,3dichloro-5,6-dicyano-p-benzoquinone

61. Ac-10657

62. 2,3-dichloro-5,6-dicyano-4-benzoquinone

63. 2,3-dichlorodicyano-p-benzoquinone

64. 2,3 Dichloro-5,6-dicyano 1,4benzoquinone

65. 2,3-dichloro-5,6-dicyano-parabenzoquinone

66. 2,3-dichloro-5,6dicyano-1,4-benzoquinone

67. 2,3-dichloro5,6-dicyano-1,4-benzoquinone

68. 2,3-dicyano-5,6-dichloro-parabenzoquinone

69. Db-000686

70. 2,3 Dichloro-5,6-dicyano-1,4-benzoquinone

71. 2,3,dicloro-5,6-dicyano-1,4-benzoquinone

72. 2,3-dichlor-5,6-dicyano-1,4-benzoquinone

73. 2,3-dichloro 5,6-dicyano-1,4-benzoquinone

74. 2,3-dichloro-5,6-dicyano-1,4-bezoquinone

75. 2,3-dichloro-5,6-dicyano-para-benzoquinone

76. 2,3-dichloro-5.6-dicyano-1,4-benzoquinone

77. D1070

78. 2,3,-dichloro-5,6-dicyano-1,4-benzoquinone

79. 2,3- Dichloro-5,6-dicyano-1,4-benzoquinone

80. 2,3-dichloro-5, 6-dicyano-1,4-benzoquinone

81. 2,3-dichloro-5,6-dicyano -1,4-benzoquinone

82. 2,3-dichloro-5,6-dicyano- 1,4-benzoquinone

83. 2,3-dichloro-5,6-dicyano-1, 4-benzoquinone

84. 2,3-dichloro-5,6-dicyano-1,4 -benzoquinone

85. 84d582

86. D-1950

87. D78535

88. 1,2-dicarbonitrile, 4,5-dichloro-3,6-dioxo-

89. 2,3-dichloro-5,6-dicyano-p-benzoquinone, 98%

90. 2,3-dichloro-5,6-dicyano-1,4-benzoquinone Ddq

91. 4,6-dioxo-1,4-cyclohexadiene-1,2-dicarbonitrile

92. Q209177

93. 2,3-dichloro-5,6-cyano-1,4-benzoquinone

94. 2,3-dichloro-5,6-dicyanobenzoquinone [mi]

95. 3,6-dihydro-3,6-dioxo-4,5-dichlorophthalonitrile

96. 2,3-dichloro-5,6-dicyanocyclohexa-2,5-diene-1,4-dione

97. F0001-2132

98. 4,5-dichloro-3,6-dioxo-1,2-benzenedicarbonitrile

99. 1,2-dicarbonitrile-4,5-dichloro-3,6,dioxo-1,4-cyclohexadiene

100. 1,2-dicarbonitrile-4,5-dichloro-3,6-dioxo-1,4cyclohexadiene

101. 2,3-dichloro-5,6-dicyano-p-benzoquinone, Purum, >=95.0% (rt)

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₈Cl₂N₂O₂
Molecular Weight	227.00 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	225.9336826 g/mol
Monoisotopic Mass	225.9336826 g/mol
Topological Polar Surface Area	81.7 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	464
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