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CAS 99-55-8
Also known as: 99-55-8, 2-amino-4-nitrotoluene, 5-nitro-o-toluidine, 2-methyl-5-nitrobenzenamine, Fast scarlet g, Pnot
Molecular Formula
C7H8N2O2
Molecular Weight
152.15  g/mol
InChI Key
DSBIJCMXAIKKKI-UHFFFAOYSA-N
FDA UNII
433MYH2DWM

1 2D Structure

CAS 99-55-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-methyl-5-nitroaniline
2.1.2 InChI
InChI=1S/C7H8N2O2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,8H2,1H3
2.1.3 InChI Key
DSBIJCMXAIKKKI-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C(C=C(C=C1)[N+](=O)[O-])N
2.2 Other Identifiers
2.2.1 UNII
433MYH2DWM
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 5-nitro-2-toluidine

2. 5-nitro-2-toluidine Monohydrochloride

3. 5-nitro-2-toluidine Sulfate

4. 5-nitro-ortho-toluidine

2.3.2 Depositor-Supplied Synonyms

1. 99-55-8

2. 2-amino-4-nitrotoluene

3. 5-nitro-o-toluidine

4. 2-methyl-5-nitrobenzenamine

5. Fast Scarlet G

6. Pnot

7. Scarlet G Base

8. 4-nitro-2-aminotoluene

9. Devol Scarlet B

10. 3-nitro-6-methylaniline

11. Fast Scarlet G Base

12. Benzenamine, 2-methyl-5-nitro-

13. 5-nitro-2-toluidine

14. Diabase Scarlet G

15. Scarlet Base Nsp

16. Fast Red Sg Base

17. O-toluidine, 5-nitro-

18. Fast Scarlet Base G

19. 6-methyl-3-nitroaniline

20. 1-amino-2-methyl-5-nitrobenzene

21. Fast Scarlet Base J

22. Fast Scarlet J Salt

23. Fast Scarlet T Base

24. Lake Scarlet G Base

25. Daito Scarlet Base G

26. Devol Scarlet G Salt

27. Diazo Fast Scarlet G

28. Azofix Scarlet G Salt

29. Fast Scarlet Gc Base

30. Scarlet Base Ciba Ii

31. Scarlet Base Irga Ii

32. Kayaku Scarlet G Base

33. Mitsui Scarlet G Base

34. Azogene Fast Scarlet G

35. Lithosol Orange R Base

36. Symulon Scarlet G Base

37. C.i. Azoic Diazo Component 12

38. Amarthol Fast Scarlet G Base

39. Hiltonil Fast Scarlet G Base

40. 2-methyl-5-nitro-benzeneamine

41. Naphthanil Scarlet G Base

42. Fast Scarlet G Salt

43. Naphtoelan Fast Scarlet G Base

44. Sugai Fast Scarlet G Base

45. Azoene Fast Scarlet Gc Base

46. Azoene Fast Scarlet Gc Salt

47. Amarthol Fast Scarlet G Salt

48. Dainichi Fast Scarlet G Base

49. Hiltonil Fast Scarlet G Salt

50. 5-nitro-2-methylaniline

51. Hiltonil Fast Scarlet Gc Base

52. Naphtoelan Fast Scarlet G Salt

53. 5-nitro-ortho-toluidine

54. Fast Scarlet M4nt Base

55. Rcra Waste Number U181

56. Azoic Diazo Component 12

57. Nci-c01843

58. C.i. 37105

59. Ci 37105

60. O-amino-p-nitrotoluene

61. 433myh2dwm

62. Azoic Diazo Component 12, Base

63. Dtxsid4020959

64. Chebi:66891

65. Nsc-8947

66. Mfcd00007741

67. Dtxcid60959

68. 2-methyl-5-nitro Aniline

69. Cas-99-55-8

70. Smr000343278

71. Ccris 483

72. Ci Azoic Diazo Component 12

73. Hsdb 4144

74. Fast Scarlet Mn4t Base

75. Nsc 8947

76. Einecs 202-765-8

77. Rcra Waste No. U181

78. Unii-433myh2dwm

79. 2-methyl-5-nitrophenylamine

80. Brn 0879021

81. Ai3-01557

82. Conazoic Diazo Ab

83. Amino-nitro-toluene

84. C.i. Azoic Diazo Component No. 12

85. 3-nitro-6-methylanilin

86. 2-methyl,5-nitroaniline

87. 2-amino-4-nitro Toluene

88. 2-amino-4-nitro-toluene

89. 2-methyl-5-nitro-aniline

90. 2-methyl-5-nitroaniline-

91. Fast Scarlet M 4nt Base

92. Ec 202-765-8

93. Wln: Zr B1 Enw

94. Schembl2313

95. Azoene Fast Scarlet G Salt

96. 4-12-00-01807 (beilstein Handbook Reference)

97. Mls000517118

98. Mls002152874

99. 2-methyl-5-nitro-phenylamine

100. (2-methyl-5-nitrophenyl)amine

101. Chembl324642

102. 2-methyl-5-nitroaniline, 95%

103. 2-methyl-5-nitroaniline, 98%

104. 4-nitro-2-amino-1-methylbenzene

105. Nsc8947

106. 1-methyl-2-amino-4-nitrobenzene

107. 2-methyl-5-nitroaniline, 98+%

108. Hms2679n16

109. Bcp24941

110. Cs-m3392

111. Str03005

112. 5-nitro-o-toluidine [hsdb]

113. Tox21_201945

114. Tox21_300134

115. Stl163886

116. Akos000119136

117. Sb10516

118. 5-nitro-ortho-toluidine [iarc]

119. 5-nitro-o-toluidine, Analytical Standard

120. Ncgc00091592-01

121. Ncgc00091592-02

122. Ncgc00091592-03

123. Ncgc00091592-04

124. Ncgc00254217-01

125. Ncgc00259494-01

126. Db-030868

127. 2-methyl-5-nitroaniline, Analytical Standard

128. Am20060769

129. Ft-0620718

130. Ft-0620719

131. N0115

132. En300-17407

133. D77508

134. Ah-034/32850060

135. Q-100917

136. 2-amino-4-nitrotoluene 10 Microg/ml In Acetonitrile

137. 2-amino-4-nitrotoluene 100 Microg/ml In Acetonitrile

138. Q27135494

139. Z56926522

140. F2190-0478

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 152.15 g/mol
Molecular Formula C7H8N2O2
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area71.8
Heavy Atom Count11
Formal Charge0
Complexity155
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

5-Nitro-ortho-toluidine was identified as a product of the microbial transformation by Mucrosporium sp. of 2,4-dinitrotoluene, a compound common in water discharges and effluents from ammunition plants, ammunition loading facilities and sites for the destruction of stockpiled weapons ... . 5-Nitro-ortho-toluidine was identified as an intermediate in the anaerobic biotransformation of 2,4-dinitrotoluene added to a sample of municipal activated sludge ... . 5-Nitro-ortho-toluidine is formed enzymatically from 2,4-dinitrotoluene by liver and lung microsomal fractions from mice ... by liver microsomal and cytosolic fractions from rats ... and by intestinal microorganisms from rats and mice ... . 5-Nitro-ortho-toluidine and its N-acetyl derivative were identified as minor metabolites of 2,4-(14)C-dinitrotoluene when this compound was administered orally to male and female Fischer 344 rats at doses of 35, 63 or 100 mg/kg bw ... . Human intestinal microflora catalyse the reductive metabolism of 2,4-dinitrotoluene to 5-nitro-ortho-toluidine and 4-amino-2-nitrotoluene via nitroso intermediates ... .

IARC. Monographs on the Evaluation of the Carcinogenic Risk of Chemicals to Humans. Geneva: World Health Organization, International Agency for Research on Cancer, 1972-PRESENT. (Multivolume work). Available at: https://monographs.iarc.fr/ENG/Classification/index.php, p. 48:171 (1991)


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2052-01-9
Enzalutamide
VIDGAS aims to provide our pharmaceutical, Bio pharma, Agrochemical, Food and Fine chemical customers wit...
VIDGAS aims to provide our pharmaceutical, Bio pharma, Agrochemical, Food and Fine chemical customers with the highest quality SFC and HPLC purification and isolation solutions that market has to offer. With our 25 years of HPLC experience, we are able to provide variety of products with custom tailored answers for even most difficult separations. Our team of professional Chromatographers is available to assist in HPLC and SFC methods development solutions. Here at VIDGAS we are constantly innovating and pursuing the limits of HPLC and SFC.
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Digital Content Digital Content
URL Supplier Web Content
915087-25-1
Enzalutamide
VIDGAS aims to provide our pharmaceutical, Bio pharma, Agrochemical, Food and Fine chemical customers wit...
VIDGAS aims to provide our pharmaceutical, Bio pharma, Agrochemical, Food and Fine chemical customers with the highest quality SFC and HPLC purification and isolation solutions that market has to offer. With our 25 years of HPLC experience, we are able to provide variety of products with custom tailored answers for even most difficult separations. Our team of professional Chromatographers is available to assist in HPLC and SFC methods development solutions. Here at VIDGAS we are constantly innovating and pursuing the limits of HPLC and SFC.
ASK
US
PHARMACOMPASS
Upload
your Marketing & Sales content
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