Benzoic acid, 2-amino-6-fluoro-3-nitro-, ethyl ester
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Benzoic acid, 2-amino-6-fluoro-3-nitro-, ethyl ester
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CAS No:
150368-37-9
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Formula:
C9H9FN2O4
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Chemical Name:
Benzoic acid, 2-amino-6-fluoro-3-nitro-, ethyl ester
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Synonyms:
Benzoic acid,2-amino-6-fluoro-3-nitro-,ethyl ester;Ethyl 2-amino-6-fluoro-3-nitrobenzoate;2-Amino-6-fluoro-3-nitrobenzoic acid ethyl ester
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CAS No:
Benzoic acid, 2-amino-6-fluoro-3-nitro-, ethyl ester Basic Attributes
228.18
228.18
DTXSID60373368
2922499990
Characteristics
98.1
1.9
1.407±0.06 g/cm3(Predicted)
369.9±42.0 °C(Predicted)
177.5±27.9 °C
1.573
1.15E-05mmHg at 25°C
Safety Information
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302
Benzoic acid, 2-amino-6-fluoro-3-nitro-, ethyl ester Use and Manufacturing
Ethyl 2-amino-6-fluoro-3-nitrobenzoate (5.0g) was melted in methanol (50 ml), 1.9M sodium methoxide / methanol solution (5 ml) was dropped under churning at 0 degree C, and it agitated at the room temperature for 1 hour. After cooling reaction mixture at 0 degree C and adding 2-N chloride, output was collected and the notation compound (5.43g) was obtained by washing with water.To a stirred solution of To a stirred solution of To a stirred solution of To a stirred solution of C. Synthesis of benzimidazole ester F-20: 5-Fluoro-2-[[[(4-methoxy-2, 6-dimethyl- phenyl)sulfonyl]-methyl-amino]-methyl]-3H-benzoimidazole-4-carboxylic acid methyl ester (F-20); (I) A solution of Example 27; 2- (2, 3-Dichloro-phenylamino)-5-fluoro-3H-benzoimidazole-4-carboxylic acid; (a) 2, 3-Diamino-6-fluoro-benzoic acid ethyl ester; Commercially available
Computed Properties
Molecular Weight:228.18
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:228.05463493
Monoisotopic Mass:228.05463493
Topological Polar Surface Area:98.1
Heavy Atom Count:16
Complexity:281
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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