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611-06-3

European CDMO and Gx manufacturer with 75 years of experience in delivering premium APIs to pharmaceutical partners worldwide.

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Granules India Limited has high volume world-class facilities for APIs, PFIs, & FDFs, serving customers in over 80 countries.

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Chemistry

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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

611-06-3

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 Formula	C₆H₃Cl₂NO₂
Molecular Weight	192.00 g/mol
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	45.8
Heavy Atom Count	11
Formal Charge	0
Complexity	159
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 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)

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