Cas no 91822-69-4 (2-ethyl-1H-benzo[f]benzimidazole-4,9-dione)
![2-ethyl-1H-benzo[f]benzimidazole-4,9-dione structure](https://ossimg.kuujia.com/scimg/92000/91822-69-4x500.png)
91822-69-4 structure
Product Name:2-ethyl-1H-benzo[f]benzimidazole-4,9-dione
CAS No:91822-69-4
MF:C13H10N2O2
MW:226.230702877045
CID:997482
PubChem ID:225437
Update Time:2025-04-20
2-ethyl-1H-benzo[f]benzimidazole-4,9-dione Chemical and Physical Properties
Names and Identifiers
-
- 2-ethyl-1H-benzo[f]benzimidazole-4,9-dione
- DTXSID60279957
- NSC-14772
- NSC14772
- 91822-69-4
- NCI60_001008
- CHEMBL2004372
-
- Inchi： 1S/C13H10N2O2/c1-2-9-14-10-11(15-9)13(17)8-6-4-3-5-7(8)12(10)16/h3-6H,2H2,1H3,(H,14,15)
- InChI Key： BDRALAFPLKRVJQ-UHFFFAOYSA-N
- SMILES： O=C1C2C=CC=CC=2C(C2=C1NC(CC)=N2)=O
Computed Properties
- Exact Mass: 226.074
- Monoisotopic Mass: 226.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 355
- 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: 2.5
- Topological Polar Surface Area: 62.8?2
Experimental Properties
- Density: 1.384
- Boiling Point: 521.2°C at 760 mmHg
- Flash Point: 263.5°C
- Refractive Index: 1.665
- PSA: 62.82000
- LogP: 1.74750
2-ethyl-1H-benzo[f]benzimidazole-4,9-dione Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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2. 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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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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