Cas no 807365-00-0 (Benzoic acid, 2-bromo-, 2-[(4-hydroxybutyl)thio]-6-methyl-4-pyrimidinyl ester)
![Benzoic acid, 2-bromo-, 2-[(4-hydroxybutyl)thio]-6-methyl-4-pyrimidinyl ester structure](https://ossimg.kuujia.com/scimg/807500/807365-00-0x500.png)
807365-00-0 structure
Product Name:Benzoic acid, 2-bromo-, 2-[(4-hydroxybutyl)thio]-6-methyl-4-pyrimidinyl ester
CAS No:807365-00-0
MF:C16H17BrN2O3S
MW:397.286782026291
CID:6641702
Update Time:2024-01-29
Benzoic acid, 2-bromo-, 2-[(4-hydroxybutyl)thio]-6-methyl-4-pyrimidinyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 2-bromo-, 2-[(4-hydroxybutyl)thio]-6-methyl-4-pyrimidinyl ester
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- Inchi： 1S/C16H17BrN2O3S/c1-11-10-14(19-16(18-11)23-9-5-4-8-20)22-15(21)12-6-2-3-7-13(12)17/h2-3,6-7,10,20H,4-5,8-9H2,1H3
- InChI Key： SNVPNVKMLKAZRD-UHFFFAOYSA-N
- SMILES： C(OC1C=C(C)N=C(SCCCCO)N=1)(=O)C1=CC=CC=C1Br
Experimental Properties
- Density: 1.52±0.1 g/cm3(Predicted)
- Boiling Point: 538.7±50.0 °C(Predicted)
- pka: 15.01±0.10(Predicted)
Benzoic acid, 2-bromo-, 2-[(4-hydroxybutyl)thio]-6-methyl-4-pyrimidinyl ester Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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