5-NITRO-1H-PYRAZOLE-3-CARBOXYLICACIDMETHYLESTER
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5-NITRO-1H-PYRAZOLE-3-CARBOXYLICACIDMETHYLESTER
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CAS No:
181585-93-3
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Formula:
C5H5N3O4
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Chemical Name:
5-NITRO-1H-PYRAZOLE-3-CARBOXYLICACIDMETHYLESTER
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Synonyms:
5-NITRO-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER;3-Methoxycarbonyl-5-nitropyrazole;5-nitro-3-pyrazolecarboxylic acid Methyl ester;5-nitro-3-pyrazole-carboxylic acid Methyl ester;Methyl 5-nitropyrazole-3-carboxylate;1H-Pyrazole-3-carboxylicacid, 5-nitro-, Methyl ester;5-nitro-2H-pyrazole-3-carboxylic acid methyl ester;methyl 5-nitro-2H-pyrazole-3-carboxylate
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CAS No:
5-NITRO-1H-PYRAZOLE-3-CARBOXYLICACIDMETHYLESTER Basic Attributes
171.11
171.02800565
DTXSID90361632
2933199090
Characteristics
100.80000
0.62770
1.545±0.06 g/cm3
145.5℃
388.3±22.0 °C(Predicted)
188.7ºC
1.584
3.09E-06mmHg at 25°C
5.36±0.10
Safety Information
IRRITANT
|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.
Computed Properties
Molecular Weight:171.11
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:171.02800565
Monoisotopic Mass:171.02800565
Topological Polar Surface Area:101
Heavy Atom Count:12
Complexity:201
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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