6-AMINO-1,3-BENZODIOXOLE-5-CARBOXYLICACID
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6-AMINO-1,3-BENZODIOXOLE-5-CARBOXYLICACID
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CAS No:
20332-16-5
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Formula:
C8H7NO4
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Chemical Name:
6-AMINO-1,3-BENZODIOXOLE-5-CARBOXYLICACID
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Synonyms:
6-Aminobenzo[d][1,3]dioxole-5-carboxylic acid;6-amino-1,3-benzodioxole-5-carboxylic acid;6-AMINO-2H-1,3-BENZODIOXOLE-5-CARBOXYLIC ACID;6-Amino-benzo[1,3]dioxole-5-carboxylic acid;1,3-Benzodioxole-5-carboxylic acid, 6-amino-;6-amino-2H-benzo[d]1,3-dioxolane-5-carboxylic acid;SCHEMBL7018429;CTK1A4313;KS-00000FCQ;DTXSID70427705
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CAS No:
6-AMINO-1,3-BENZODIOXOLE-5-CARBOXYLICACID Basic Attributes
181.147
181.03800
DTXSID70427705
2932999099
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
6-AMINO-1,3-BENZODIOXOLE-5-CARBOXYLICACID Use and Manufacturing
the NaOH (2.95g, 73 . 8mmol) adding water (75 ml) in, stirring to dissolve into the 6 - amino and [d] [1, 3] dioxane -5 - carboxylic acid methyl ester (12.0g, 61 . 5mmol), raising the temperature to 90 °C stirring 2 hours. The ice water cooling, concentrated hydrochloric acid to adjust the pH to 2, solids are separated out, full mixing, filtering, the filter cake of water washing, drying shall be 6 - amino and [d] [1, 3] dioxane -5 - formic acid (7.2g, 65percent).
Computed Properties
Molecular Weight:181.15
XLogP3:1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:181.03750770
Monoisotopic Mass:181.03750770
Topological Polar Surface Area:81.8
Heavy Atom Count:13
Complexity:220
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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6-AMINO-1,3-BENZODIOXOLE-5-CARBOXYLICACID
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