Cas no 54779-85-0 (Benzoyl isothiocyanate, 4-cyano-)
54779-85-0 structure
Product Name:Benzoyl isothiocyanate, 4-cyano-
CAS No:54779-85-0
MF:C9H4N2OS
MW:188.205860137939
CID:1591802
Update Time:2024-09-13
Benzoyl isothiocyanate, 4-cyano- Chemical and Physical Properties
Names and Identifiers
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- Benzoyl isothiocyanate, 4-cyano-
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- Inchi： 1S/C9H4N2OS/c10-5-7-1-3-8(4-2-7)9(12)11-6-13/h1-4H
- InChI Key： YHOPMABNZKSKRS-UHFFFAOYSA-N
- SMILES： C(N=C=S)(=O)C1=CC=C(C#N)C=C1
Computed Properties
- Exact Mass: 188.00452
Experimental Properties
- Density: 1.20±0.1 g/cm3(Predicted)
- Boiling Point: 350.9±25.0 °C(Predicted)
- PSA: 53.22
Benzoyl isothiocyanate, 4-cyano- 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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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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