CAS 98-74-8

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Chemistry

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Also known as: 98-74-8, 4-nitrobenzene-1-sulfonyl chloride, Benzenesulfonyl chloride, 4-nitro-, 4-nitrobenzenesulphonyl chloride, 4-nitrobenzenesulfonylchloride, 4-nitrophenylsulfonyl chloride

Molecular Formula

C₆H₄ClNO₄S

Molecular Weight

221.62 g/mol

InChI Key

JXRGUPLJCCDGKG-UHFFFAOYSA-N

1 2D Structure

CAS 98-74-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-nitrobenzenesulfonyl chloride

2.1.2 InChI

InChI=1S/C6H4ClNO4S/c7-13(11,12)6-3-1-5(2-4-6)8(9)10/h1-4H

2.1.3 InChI Key

JXRGUPLJCCDGKG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)Cl

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Nbso2cl

2. P-nitrobenzenesulfonyl Chloride

2.2.2 Depositor-Supplied Synonyms

1. 98-74-8

2. 4-nitrobenzene-1-sulfonyl Chloride

3. Benzenesulfonyl Chloride, 4-nitro-

4. 4-nitrobenzenesulphonyl Chloride

5. 4-nitrobenzenesulfonylchloride

6. 4-nitrophenylsulfonyl Chloride

7. P-nitrophenylsulfonyl Chloride

8. 4-nitrobenzenesulphonylchloride

9. P-nitrobenzenesulfonyl Chloride

10. 4-nitro-benzenesulfonyl Chloride

11. 4-nitrobenzenesulfonic Acid Chloride

12. Benzenesulfonyl Chloride, P-nitro-

13. Nsc 13065

14. 4-nitrobenzene Sulfonylchloride

15. P-nitrobenzenesulphonyl Chloride

16. 4-nitrobenzene Sulfonyl Chloride

17. Mfcd00007445

18. Nosylchloride

19. Nosyl Chloride

20. Einecs 202-697-9

21. Ai3-52248

22. 4-nitrophenylsulfonylchloride

23. P-nitrobenzenesulfonylchloride

24. Schembl17673

25. P-nitrobenzensulfonyl Chloride

26. 4-nitrobenzensulfonyl Chloride

27. P-nitrobenzenesulphonylchloride

28. 4-nitrophenylsulphonyl Chloride

29. P-nitrophenyl-sulfonyl Chloride

30. 4-nitrobenzenesulfanyl Chloride

31. 4-nitrophenyl Sulfonyl Chloride

32. P-nitro Benzenesulfonyl Chloride

33. 4-nitro Benzenesulfonyl Chloride

34. 4-nitro-phenylsulphonyl Chloride

35. 4-nitrobenzene-sulfonyl Chloride

36. Chembl4753649

37. Dtxsid4059178

38. 4-nitrobenzene Sulphonyl Chloride

39. Jxrgupljccdgkg-uhfffaoysa-

40. P-nitro Benzene Sulfonyl Chloride

41. P-nitrobenzene Sulphonyl Chloride

42. 4-nitro-benzene Sulfonyl Chloride

43. Nsc9572

44. Nsc-9572

45. Nsc13065

46. 4-nitrobenzenesulphonic Acid Chloride

47. Bbl019758

48. Nsc-13065

49. Stk538935

50. Zinc95713098

51. 4-nitrobenzenesulfonyl Chloride, 97%

52. Akos000119257

53. Upcmld0enat5685873:001

54. As-14329

55. Db-032000

56. Am20050025

57. Ft-0619207

58. N0144

59. 98n748

60. C93521

61. W-100064

62. 4-nitrobenzenesulfonyl Chloride, Technical Grade, 90%

63. 4-nitrobenzenesulfonyl Chloride, Purum, >=98.0% (at)

64. F9995-0064

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₆H₄ClNO₄S
Molecular Weight	221.62 g/mol
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	220.9549565 g/mol
Monoisotopic Mass	220.9549565 g/mol
Topological Polar Surface Area	88.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	283
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

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