Cas no 13892-46-1 (1H-Pyrazole-4-carboxylic acid, 3-methyl-1,5-diphenyl-, methyl ester)
13892-46-1 structure
Product Name:1H-Pyrazole-4-carboxylic acid, 3-methyl-1,5-diphenyl-, methyl ester
CAS No:13892-46-1
MF:C18H16N2O2
MW:292.331844329834
CID:1256684
Update Time:2024-08-03
1H-Pyrazole-4-carboxylic acid, 3-methyl-1,5-diphenyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrazole-4-carboxylic acid, 3-methyl-1,5-diphenyl-, methyl ester
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- Inchi： 1S/C18H16N2O2/c1-13-16(18(21)22-2)17(14-9-5-3-6-10-14)20(19-13)15-11-7-4-8-12-15/h3-12H,1-2H3
- InChI Key： JWUZAVIDWMIAJR-UHFFFAOYSA-N
- SMILES： N1(C2=CC=CC=C2)C(C2=CC=CC=C2)=C(C(OC)=O)C(C)=N1
Computed Properties
- Exact Mass: 292.12128
Experimental Properties
- Density: 1.14±0.1 g/cm3(Predicted)
- Melting Point: 130 °C
- Boiling Point: 446.8±33.0 °C(Predicted)
- PSA: 44.12
- pka: -2.18±0.10(Predicted)
1H-Pyrazole-4-carboxylic acid, 3-methyl-1,5-diphenyl-, methyl ester Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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