CAS 350-46-9

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Also known as: 4-fluoronitrobenzene, 350-46-9, P-fluoronitrobenzene, P-nitrofluorobenzene, 4-nitrofluorobenzene, Benzene, 1-fluoro-4-nitro-

Molecular Formula

C₆H₄FNO₂

Molecular Weight

141.10 g/mol

InChI Key

WFQDTOYDVUWQMS-UHFFFAOYSA-N

FDA UNII

A2M2FH7XHH

1 2D Structure

CAS 350-46-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-fluoro-4-nitrobenzene

2.1.2 InChI

InChI=1S/C6H4FNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H

2.1.3 InChI Key

WFQDTOYDVUWQMS-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC=C1[N+](=O)[O-])F

2.2 Other Identifiers

2.2.1 UNII

A2M2FH7XHH

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1-fluoro-2-nitrobenzene

2. 2-fluoronitrobenzene

3. O-fluoronitrobenzene

4. P-fluoronitrobenzene

2.3.2 Depositor-Supplied Synonyms

1. 4-fluoronitrobenzene

2. 350-46-9

3. P-fluoronitrobenzene

4. P-nitrofluorobenzene

5. 4-nitrofluorobenzene

6. Benzene, 1-fluoro-4-nitro-

7. 4-fluoro-1-nitrobenzene

8. 1-nitro-4-fluorobenzene

9. 178603-76-4

10. 1-fluoro-4-nitro-benzene

11. Nsc 10281

12. P-fluoro Nitrobenzene

13. Para-fluoronitrobenzene

14. 1,4-fluoronitrobenzene

15. 4-nitro-1-fluorobenzene

16. A2m2fh7xhh

17. Nsc-10281

18. Benzene, 1-fluoro-4-nitro-, Labeled With Carbon-14 (9ci)

19. P-fluoro Nitrobenzone

20. Hsdb 2735

21. Einecs 206-502-8

22. Unii-a2m2fh7xhh

23. 4fluoronitrobenzene

24. 4-fluornitrobenzene

25. 4-fluronitrobenzene

26. 4-flouronitrobenzene

27. Parafluoronitrobenzene

28. Mfcd00007282

29. 4-nitrophenylfluoride

30. P-fluoro-nitrobenzene

31. P-fluoronitro Benzene

32. 4-fluro-nitrobenzene

33. 4-fluoro Nitrobenzene

34. 4-fluoro-nitrobenzene

35. 4-fluoronitro Benzene

36. 4-fluoronitro-benzene

37. 4-nitro-fluorobenzene

38. Fluoro-4-nitrobenzene

39. P-fluoro -nitrobenzene

40. 1-fluoro4-nitrobenzene

41. 4-(fluoro)nitrobenzene

42. 4-fluoro Nitro Benzene

43. 4-fluoro-nitro-benzene

44. 4-fluoro1-nitrobenzene

45. 4-fluoro-l-nitrobenzene

46. 4-fluro-1-nitrobenzene

47. L-fluoro-4-nitrobenzene

48. 1-fiuoro-4-nitrobenzene

49. 1-fluoro-4nitro-benzene

50. Wln: Wnr Df

51. Schembl536

52. 1 -fluoro-4-nitrobenzene

53. 1-fluoro-4-nitro Benzene

54. 4-fluoro-1-nitro-benzene

55. Ec 206-502-8

56. 4-nitrophenyl Fluoride

57. Para Fluoro Nitrobenzene

58. Chembl163729

59. Dtxsid9022025

60. Schembl16591626

61. 1-fluoro-4-nitrobenzene, 99%

62. Act07085

63. Nsc10281

64. Zinc1706157

65. Bbl027638

66. Stk399779

67. Akos005207030

68. Akos025395644

69. Cs-w008789

70. Pb47744

71. 1-nitro-4-fluorobenzene [hsdb]

72. As-11956

73. Db-003484

74. Db-103230

75. A6148

76. Am20040254

77. F0105

78. Ft-0618544

79. En300-19364

80. 1-fluoro-4-nitrobenzene, Purum, >=98.0% (gc)

81. W-200549

82. Q27273534

83. F0001-1015

84. Benzene,1-fluoro-4-nitro-, Labeled With Carbon-14 (9ci)

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₆H₄FNO₂
Molecular Weight	141.10 g/mol
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	141.02260653 g/mol
Monoisotopic Mass	141.02260653 g/mol
Topological Polar Surface Area	45.8 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	126
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

YIELDS N-ACETYL-S-(P-NITROPHENYL)-L-CYSTEINE, P-FLUOROANILINE & P-NITROPHENOL IN RABBITS: BRAY & JAMES, BIOCHEM J 66: 45 (1957); BRAY ET AL, BIOCHEM J 68: 561 (1958). /FROM TABLE/

Goodwin, B.L. Handbook of Intermediary Metabolism of Aromatic Compounds. New York: Wiley, 1976., p. F-7

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