2H-1,2,3TRIAZOLE-2-ACETICACID
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2H-1,2,3TRIAZOLE-2-ACETICACID
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CAS No:
4320-91-6
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Formula:
C4H5N3O2
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Chemical Name:
2H-1,2,3TRIAZOLE-2-ACETICACID
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Synonyms:
2H-1,2,3-triazole-2-acetic acid;2H-1,2,3Triazole-2-acetic acid;2-(2H-1,2,3-triazol-2-yl)acetic acid;2H-1,2,3 TRIAZOLE-2-ACETIC ACID;2-(triazol-2-yl)acetic acid;2H-1,2,3-Triazole-2-aceticacid;KSC235A2F;SCHEMBL908783;CTK1D5022;DTXSID70634033
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CAS No:
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|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2H-1,2,3TRIAZOLE-2-ACETICACID Use and Manufacturing
Preparation 19: 2H-1 , 2, 3-Triazol-2-ylacetic acid. A solution of lithium hydroxide monohydrate (2.5 g, 60 mmol) in water (15 ml) was added to a solution of the product of preparation 17 (7.8 g, 50 ml) and the mixture was stirred at room temperature for 18 hours. It was then acidified with 2M hydrochloric acid (150 ml) and extracted with dichloromethane (150 ml x 3). The combined organic solutions were dried over magnesium sulfate and concentrated in vacuo to afford the title compound as a white solid in 81percent yield, 5.2 g.
Computed Properties
Molecular Weight:127.10
XLogP3:-0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:127.038176411
Monoisotopic Mass:127.038176411
Topological Polar Surface Area:68
Heavy Atom Count:9
Complexity:110
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
