Cas no 85010-39-5 (1,2,3-Benzotriazin-4-ol,3,4-dihydro-3-methyl-)
85010-39-5 structure
Product Name:1,2,3-Benzotriazin-4-ol,3,4-dihydro-3-methyl-
CAS No:85010-39-5
MF:C8H9N3O
MW:163.176561117172
CID:728965
Update Time:2024-01-31
1,2,3-Benzotriazin-4-ol,3,4-dihydro-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,2,3-Benzotriazin-4-ol,3,4-dihydro-3-methyl-
- 3-methyl-4H-1,2,3-benzotriazin-4-ol
-
- Inchi： 1S/C8H9N3O/c1-11-8(12)6-4-2-3-5-7(6)9-10-11/h2-5,8,12H,1H3
- InChI Key： ZPNMVOMIAKRGGI-UHFFFAOYSA-N
- SMILES： N1C2=CC=CC=C2C(O)N(C)N=1
Computed Properties
- Exact Mass: 163.075
- Monoisotopic Mass: 163.075
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 195
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
Experimental Properties
- Density: 1.34
- Boiling Point: 288.4°C at 760 mmHg
- Flash Point: 128.2°C
- Refractive Index: 1.667
1,2,3-Benzotriazin-4-ol,3,4-dihydro-3-methyl- Related Literature
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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