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2D Structure
Also known as: 611-06-3, 2,4-dichloro-1-nitrobenzene, Benzene, 2,4-dichloro-1-nitro-, 1,3-dichloro-4-nitrobenzene, Dtxsid3024998, 85p1a896rr
Molecular Formula
C6H3Cl2NO2
Molecular Weight
192.00  g/mol
InChI Key
QUIMTLZDMCNYGY-UHFFFAOYSA-N
FDA UNII
85P1A896RR

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2,4-dichloro-1-nitrobenzene
2.1.2 InChI
InChI=1S/C6H3Cl2NO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H
2.1.3 InChI Key
QUIMTLZDMCNYGY-UHFFFAOYSA-N
2.2 Other Identifiers
2.2.1 UNII
85P1A896RR
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 2,4-dichloro-1-nitrobenzene

2.3.2 Depositor-Supplied Synonyms

1. 611-06-3

2. 2,4-dichloro-1-nitrobenzene

3. Benzene, 2,4-dichloro-1-nitro-

4. 1,3-dichloro-4-nitrobenzene

5. Dtxsid3024998

6. 85p1a896rr

7. Nsc-43196

8. Dtxcid104998

9. Refchem:82387

10. 4-nitro-1,3-dichlorobenzene

11. 210-248-3

12. Mfcd00007071

13. Ccris 3095

14. Hsdb 4267

15. Einecs 210-248-3

16. Nsc 43196

17. Brn 1451655

18. Unii-85p1a896rr

19. 2,4-dichloro-1-nitro-benzene

20. Benzene, 1,3-dichloro-4-nitro

21. Benzene, 2,4-dichloro-1-nitro-; 2,4-dichloro-1-nitrobenzene; 1,3-dichloro-4-nitrobenzene; 2,4-dichloronitrobenzene; 4-nitro-1,3-dichlorobenzene; Nsc 43196

22. Nitro-m-dichlorobenzene

23. 2,4-dichloronitrobenzen

24. 2,4-dichloro-nitrobenzene

25. 2, 4-dichloronitrobenzene

26. Ec 210-248-3

27. 2,4-dichloro Nitro Benzene

28. Ghl.pd_mitscher_leg0.937

29. Benzene,4-dichloro-1-nitro-

30. Schembl487215

31. Chembl166050

32. Schembl6501572

33. Schembl8761327

34. Schembl11140091

35. Schembl29398960

36. Dichloronitrobenzene, 2,4-

37. Nsc43196

38. Tox21_200204

39. Sbb061648

40. 2,4-dichloro-1-nitrobenzene, 97%

41. Akos009156373

42. Ac-2533

43. Fd34637

44. Gs-3043

45. 2,4-dichloronitrobenzene [hsdb]

46. Msk001906-1000m

47. Ncgc00091267-01

48. Ncgc00091267-02

49. Ncgc00257758-01

50. Cas-611-06-3

51. D0982

52. Ns00002924

53. St50826500

54. En300-49162

55. A833046

56. F079236

57. Q2705544

58. 2,4-dichloro-1-nitrobenzene, Purum, >=98.0% (gc)

59. 2,4-dichloronitrobenzene Solution In Methanol, 1000ug/ml

60. Inchi=1/c6h3cl2no2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 192.00 g/mol
Molecular Formula C6H3Cl2NO2
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area45.8
Heavy Atom Count11
Formal Charge0
Complexity159
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 Metabolism/Metabolites

The metabolism of 2,3-, 2,4-, 2,5-, 2,6-, 3,4-, and 3,5-dichloro-1-nitrobenzene by Mucor javanicus was investigated, together with 2,4-dichloro-1-nitrobenzene metabolism by other fungi. The main metabolites were the corresponding dichloroanilines, accompanied by a lesser amt of 2,5-dichloro-1-nitrobenzene and 2,6-dichloro-1-nitrobenzene (3-or4-substituted) from 2,3-dichloro-1-nitrobenzene or 2,4-dichloro-1-nitrobenzene, respectively. Similar metabolic patterns were observed with M griseocyanus, M praini, M hiemalis, or Aspergillus flavus.

Hafsah Z et al; Nippon Noyaku Gakaishi 9 (1): 117-23 (1984)