Cas no 349398-78-3 (Benzenesulfonamide, 4-bromo-N-(cyanomethyl)-)
349398-78-3 structure
Product Name:Benzenesulfonamide, 4-bromo-N-(cyanomethyl)-
CAS No:349398-78-3
MF:C8H7BrN2O2S
MW:275.122379541397
CID:1467084
Update Time:2024-08-23
Benzenesulfonamide, 4-bromo-N-(cyanomethyl)- Chemical and Physical Properties
Names and Identifiers
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- Benzenesulfonamide, 4-bromo-N-(cyanomethyl)-
- 4-bromo-N-(cyanomethyl)benzenesulfonamide
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- Inchi： 1S/C8H7BrN2O2S/c9-7-1-3-8(4-2-7)14(12,13)11-6-5-10/h1-4,11H,6H2
- InChI Key： UXVSRHMPCCBADC-UHFFFAOYSA-N
- SMILES： C1(S(NCC#N)(=O)=O)=CC=C(Br)C=C1
Computed Properties
- Exact Mass: 273.94121
Experimental Properties
- Density: 1.656±0.06 g/cm3(Predicted)
- Melting Point: 126 °C
- Boiling Point: 418.1±55.0 °C(Predicted)
- PSA: 69.96
- pka: 6.57±0.50(Predicted)
Benzenesulfonamide, 4-bromo-N-(cyanomethyl)- Related Literature
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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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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