Cas no 61858-82-0 (Isoxazole, 5-[[5-(bromomethyl)-3-isoxazolyl]methyl]-3-methyl-)
![Isoxazole, 5-[[5-(bromomethyl)-3-isoxazolyl]methyl]-3-methyl- structure](https://ossimg.kuujia.com/scimg/62000/61858-82-0x500.png)
61858-82-0 structure
Product Name:Isoxazole, 5-[[5-(bromomethyl)-3-isoxazolyl]methyl]-3-methyl-
CAS No:61858-82-0
MF:C9H9BrN2O2
MW:257.083961248398
CID:1631437
Update Time:2024-09-12
Isoxazole, 5-[[5-(bromomethyl)-3-isoxazolyl]methyl]-3-methyl- Chemical and Physical Properties
Names and Identifiers
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- Isoxazole, 5-[[5-(bromomethyl)-3-isoxazolyl]methyl]-3-methyl-
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- Inchi： 1S/C9H9BrN2O2/c1-6-2-8(13-11-6)3-7-4-9(5-10)14-12-7/h2,4H,3,5H2,1H3
- InChI Key： GZIYXZWHXVCDAT-UHFFFAOYSA-N
- SMILES： O1C(CC2C=C(CBr)ON=2)=CC(C)=N1
Computed Properties
- Exact Mass: 255.98477
Experimental Properties
- Density: 1.542±0.06 g/cm3(Predicted)
- Boiling Point: 383.1±37.0 °C(Predicted)
- PSA: 52.06
- pka: -2.21±0.10(Predicted)
Isoxazole, 5-[[5-(bromomethyl)-3-isoxazolyl]methyl]-3-methyl- Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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