Cas no 132533-57-4 (1,2,3-Benzotriazin-4(3H)-one, 3-hydroxy-6-iodo-)
132533-57-4 structure
Product Name:1,2,3-Benzotriazin-4(3H)-one, 3-hydroxy-6-iodo-
CAS No:132533-57-4
MF:C7H4IN3O2
MW:289.030033111572
CID:1230576
Update Time:2024-08-05
1,2,3-Benzotriazin-4(3H)-one, 3-hydroxy-6-iodo- Chemical and Physical Properties
Names and Identifiers
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- 1,2,3-Benzotriazin-4(3H)-one, 3-hydroxy-6-iodo-
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- Inchi： 1S/C7H4IN3O2/c8-4-1-2-6-5(3-4)7(12)11(13)10-9-6/h1-3,13H
- InChI Key： IRFXXWDSKDZAAV-UHFFFAOYSA-N
- SMILES： N1C2=CC=C(I)C=C2C(=O)N(O)N=1
Computed Properties
- Exact Mass: 288.93442
Experimental Properties
- Density: 2.39±0.1 g/cm3(Predicted)
- Melting Point: 170-171 °C (decomp)
- Boiling Point: 443.3±47.0 °C(Predicted)
- PSA: 65.26
- pka: 8.06±0.20(Predicted)
1,2,3-Benzotriazin-4(3H)-one, 3-hydroxy-6-iodo- Related Literature
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1. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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