3-Isothiazolecarboxylicacid
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3-Isothiazolecarboxylicacid
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CAS No:
4576-90-3
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Formula:
C4H3NO2S
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Chemical Name:
3-Isothiazolecarboxylicacid
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Synonyms:
3-Carboxyisothiazole;3-ISOTHIAZOLECARBOXYLICACID;isothiazole-3-carboxylicacid;1,2-thiazole-3-carboxylicacid;Isothiazole-3-carboxylicacid97%;3-Carboxyisothiazole,1,2-Thiazole-3-carboxylicacid
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CAS No:
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
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|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, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-Isothiazolecarboxylicacid Use and Manufacturing
To a stirred solution of compound 39 (10 g, 100.85 mmol) in concentrated sulfuric acid (300 mL) under inert atmosphere was added chromium (VI) oxide (30.25 g, 302.57 mmol) portion wise at 0 Chromium(IV) oxide (9.00 mmol) is added in several batches to a solution of 3-methylisothiazole (3.03 mmol) in fuming sulfuric acid (10 ml_) at 0
Computed Properties
Molecular Weight:129.14
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:128.98844951
Monoisotopic Mass:128.98844951
Topological Polar Surface Area:78.4
Heavy Atom Count:8
Complexity:106
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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