Cas no 52128-56-0 (1,2,3-Benzotriazin-4(3H)-one,3-(acetyloxy)-)
52128-56-0 structure
Product Name:1,2,3-Benzotriazin-4(3H)-one,3-(acetyloxy)-
CAS No:52128-56-0
MF:C9H7N3O3
MW:205.170181512833
CID:382388
PubChem ID:327357
Update Time:2025-04-19
1,2,3-Benzotriazin-4(3H)-one,3-(acetyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2,3-Benzotriazin-4(3H)-one,3-(acetyloxy)-
- (4-oxo-1,2,3-benzotriazin-3-yl) acetate
- AC1L70C2
- NSC302068
- NSC-302068
- SureCN1561845
- 52128-56-0
- SCHEMBL1561845
- BTPDCMDGRPYCQZ-UHFFFAOYSA-N
- DTXSID50316325
- 4-oxo-4H-benzo[d][1,2,3]triazin-3-yl acetate
-
- Inchi： 1S/C9H7N3O3/c1-6(13)15-12-9(14)7-4-2-3-5-8(7)10-11-12/h2-5H,1H3
- InChI Key： BTPDCMDGRPYCQZ-UHFFFAOYSA-N
- SMILES： O(C(C)=O)N1C(C2C=CC=CC=2N=N1)=O
Computed Properties
- Exact Mass: 205.04881
- Monoisotopic Mass: 205.049
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 316
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.9
- Topological Polar Surface Area: 71.3?2
Experimental Properties
- Density: 1.45
- Boiling Point: 327.1°Cat760mmHg
- Flash Point: 151.6°C
- Refractive Index: 1.658
- PSA: 71.33
- LogP: -0.23340
1,2,3-Benzotriazin-4(3H)-one,3-(acetyloxy)- Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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