Cas no 81886-52-4 (1H-1,2,4-Triazole-1-ethanol,a-(2,4-dichlorophenyl)-a-(1H-1,2,4-triazol-1-ylmethyl)-)
81886-52-4 structure
Product Name:1H-1,2,4-Triazole-1-ethanol,a-(2,4-dichlorophenyl)-a-(1H-1,2,4-triazol-1-ylmethyl)-
CAS No:81886-52-4
MF:C13H12Cl2N6O
MW:339.179979324341
CID:723952
PubChem ID:133777
Update Time:2025-04-19
1H-1,2,4-Triazole-1-ethanol,a-(2,4-dichlorophenyl)-a-(1H-1,2,4-triazol-1-ylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-1,2,4-Triazole-1-ethanol,a-(2,4-dichlorophenyl)-a-(1H-1,2,4-triazol-1-ylmethyl)-
- 2-(2,4-dichlorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol
- dichlorophenyl-bis-triazolylpropanol
- 2-(2,4-Dichlorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)propan-2-ol
- CHEMBL1977368
- alpha-(2,4-Dichlorophenyl)-alpha-(triazol-1-ylmethyl)-as-triazoleethanol
- 2-(2,4-Dichlorophenyl)-1,3-di(1H-1,2,4-triazol-1-yl)-2-propanol
- NCI60_018173
- UK-47265
- NSC-651919
- DTXSID90231447
- AC1Q3MZH
- SCHEMBL8057057
- NSC651919
- CHEBI:9848
- Q27108501
- 81886-52-4
- 1H-1,2,4-Triazole-1-ethanol, alpha-(2,4-dichlorophenyl)-alpha-(1H-1,2,4-triazol-1-ylmethyl)-
- UK 47265
-
- Inchi： 1S/C13H12Cl2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2
- InChI Key： CMGCKUPKNSSPER-UHFFFAOYSA-N
- SMILES： ClC1C=C(C=CC=1C(CN1C=NC=N1)(CN1C=NC=N1)O)Cl
Computed Properties
- Exact Mass: 338.045
- Monoisotopic Mass: 338.045
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 22
- Rotatable Bond Count: 5
- Complexity: 358
- 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: 1.6
- Topological Polar Surface Area: 81.6?2
Experimental Properties
- Density: 1.55
- Boiling Point: 623.6°C at 760 mmHg
- Flash Point: 331°C
- Refractive Index: 1.713
1H-1,2,4-Triazole-1-ethanol,a-(2,4-dichlorophenyl)-a-(1H-1,2,4-triazol-1-ylmethyl)- Related Literature
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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