Cas no 36772-57-3 (1,2,4-Benzotriazin-3(2H)-one)
1,2,4-Benzotriazin-3(2H)-one structure
Product Name:1,2,4-Benzotriazin-3(2H)-one
CAS No:36772-57-3
MF:C7H5N3O
MW:147.134100675583
CID:1479338
Update Time:2024-08-24
1,2,4-Benzotriazin-3(2H)-one Chemical and Physical Properties
Names and Identifiers
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- 1,2,4-Benzotriazin-3(2H)-one
- 1,2,4-Benzotriazin-3(4H)-one
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- Inchi： 1S/C7H5N3O/c11-7-8-5-3-1-2-4-6(5)9-10-7/h1-4H,(H,8,10,11)
- InChI Key： KEKCQXQAPNKMLX-UHFFFAOYSA-N
- SMILES： N1C2=CC=CC=C2NC(=O)N=1
Computed Properties
- Exact Mass: 147.04335
Experimental Properties
- Density: 1.47±0.1 g/cm3(Predicted)
- Melting Point: 209-210 °C
- PSA: 53.82
- pka: 10.47±0.20(Predicted)
1,2,4-Benzotriazin-3(2H)-one Related Literature
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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