3H-Pyrazol-3-ol,4,5-dihydro-3,5,5-trimethyl-, 3-(4-nitrobenzoate) 1-oxide

Modify Date: 2025-09-22 21:17:12

3H-Pyrazol-3-ol,4,5-dihydro-3,5,5-trimethyl-, 3-(4-nitrobenzoate) 1-oxide Structure
3H-Pyrazol-3-ol,4,5-dihydro-3,5,5-trimethyl-, 3-(4-nitrobenzoate) 1-oxide structure
Common Name 3H-Pyrazol-3-ol,4,5-dihydro-3,5,5-trimethyl-, 3-(4-nitrobenzoate) 1-oxide
CAS Number 65441-90-9 Molecular Weight 293.27500
Density 1.36g/cm3 Boiling Point 440.6ºC at 760mmHg
Molecular Formula C13H15N3O5 Melting Point N/A
MSDS N/A Flash Point 220.3ºC

 Names

Name (3,5,5-trimethyl-1-oxido-4H-pyrazol-1-ium-3-yl) 4-nitrobenzoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.36g/cm3
Boiling Point 440.6ºC at 760mmHg
Molecular Formula C13H15N3O5
Molecular Weight 293.27500
Flash Point 220.3ºC
Exact Mass 293.10100
PSA 113.23000
LogP 2.53020
Index of Refraction 1.6
InChIKey APKADHZFJWUMNB-UHFFFAOYSA-N
SMILES CC1(OC(=O)c2ccc([N+](=O)[O-])cc2)CC(C)(C)[N+]([O-])=N1

 Synonyms

3,3,5-trimethyl-5-(4-nitro-benzoyloxy)-4,5-dihydro-3H-pyrazole 2-oxide
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