Cas no 123834-58-2 (1,4-Benzenediol, 2,3-di-1H-pyrazol-1-yl-)
123834-58-2 structure
Product Name:1,4-Benzenediol, 2,3-di-1H-pyrazol-1-yl-
CAS No:123834-58-2
MF:C12H10N4O2
MW:242.23340177536
CID:1218586
Update Time:2024-08-05
1,4-Benzenediol, 2,3-di-1H-pyrazol-1-yl- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Benzenediol, 2,3-di-1H-pyrazol-1-yl-
- 1,4-dihydroxy-2,3-bis(pyrazol-1'-yl)benzene
- 2,3-bis(pyrazol-1'-yl)-1,4-dihydroxybenzene
-
- Inchi： 1S/C12H10N4O2/c17-9-3-4-10(18)12(16-8-2-6-14-16)11(9)15-7-1-5-13-15/h1-8,17-18H
- InChI Key： LPZCYKKJSCUPHC-UHFFFAOYSA-N
- SMILES： C1(O)=CC=C(O)C(N2C=CC=N2)=C1N1C=CC=N1
Computed Properties
- Exact Mass: 242.0805
Experimental Properties
- Density: 1.46±0.1 g/cm3(Predicted)
- Boiling Point: 486.7±45.0 °C(Predicted)
- PSA: 76.1
- pka: 8.33±0.48(Predicted)
1,4-Benzenediol, 2,3-di-1H-pyrazol-1-yl- Related Literature
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Riccardo Spezia,Stefan Knecht,Benedetta Mennucci Phys. Chem. Chem. Phys., 2017,19, 17156-17166
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Sheng Wang,Wenxian Xie,Xiu Zhang,Xia Zou,Yan Zhang Chem. Commun., 2012,48, 5907-5909
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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