Cas no 34633-30-2 (1,3-Benzenedicarbonitrile, 5-bromo-4-hydroxy-)
34633-30-2 structure
Product Name:1,3-Benzenedicarbonitrile, 5-bromo-4-hydroxy-
CAS No:34633-30-2
MF:C8H3BrN2O
MW:223.026220560074
CID:1469314
Update Time:2024-08-24
1,3-Benzenedicarbonitrile, 5-bromo-4-hydroxy- Chemical and Physical Properties
Names and Identifiers
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- 1,3-Benzenedicarbonitrile, 5-bromo-4-hydroxy-
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- Inchi： 1S/C8H3BrN2O/c9-7-2-5(3-10)1-6(4-11)8(7)12/h1-2,12H
- InChI Key： XUVSKUZWJCIOLO-UHFFFAOYSA-N
- SMILES： C1(C#N)=CC(Br)=C(O)C(C#N)=C1
Computed Properties
- Exact Mass: 221.94289
Experimental Properties
- Density: 1.85±0.1 g/cm3(Predicted)
- Boiling Point: 288.0±40.0 °C(Predicted)
- PSA: 67.81
- pka: 3.52±0.23(Predicted)
1,3-Benzenedicarbonitrile, 5-bromo-4-hydroxy- Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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