1,2,4-Triazole-3-carboxylic acid
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1,2,4-Triazole-3-carboxylic acid
structure -
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CAS No:
4928-87-4
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Formula:
C3H3N3O2
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Chemical Name:
1,2,4-Triazole-3-carboxylic acid
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Synonyms:
1H-1,2,4-Triazole-5-carboxylic acid;s-Triazole-3-carboxylic acid;1H-1,2,4-Triazole-3-carboxylic acid;1,2,4-Triazole-3-carboxylic acid;NSC 165527;NSC 202574;4H-1,2,4-Triazole-3-carboxylic acid
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CAS No:
1,2,4-Triazole-3-carboxylic acid Basic Attributes
113.07
113.07
610-450-5
7MLK3JCX3W
202574|165527
DTXSID10197753
2933990090
Characteristics
78.9
-0.2
Yellowish crystalline powder
1.7±0.1 g/cm3
135-137 °C
444.6°C at 760 mmHg
222.7±24.0 °C
1.632
Safety Information
3
R36/37/38
S26-S36/37
Xi:Irritant;
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (97.87%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 47 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1,2,4-Triazole-3-carboxylic acid Use and Manufacturing
1,2,4-Triazole-3-carboxylic Acid is a major metabolite of the antiviral agent Ribavirin (R414475).
Computed Properties
Molecular Weight:113.08
XLogP3:-0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:113.022526347
Monoisotopic Mass:113.022526347
Topological Polar Surface Area:78.9
Heavy Atom Count:8
Complexity:105
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1,2,4-Triazole-3-carboxylic acid
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