Cas no 78426-22-9 (1,3-Dioxane,2-(bromomethyl)-2-methyl-)
78426-22-9 structure
Product Name:1,3-Dioxane,2-(bromomethyl)-2-methyl-
CAS No:78426-22-9
MF:C6H11BrO2
MW:195.054341554642
CID:579970
PubChem ID:303684
Update Time:2025-04-19
1,3-Dioxane,2-(bromomethyl)-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxane,2-(bromomethyl)-2-methyl-
- 2-(bromomethyl)-2-methyl-1,3-dioxane
- 2-Brommethyl-2-methyl-< 1,3> dioxan
- 2-bromomethyl-2-methyl-[1,3]dioxane
- 2-methyl-2-bromomethyl-1,3-dioxane
- NSC193316
- NSC-193316
- DTXSID10307592
- 78426-22-9
-
- Inchi： 1S/C6H11BrO2/c1-6(5-7)8-3-2-4-9-6/h2-5H2,1H3
- InChI Key： AMEHKWRKEOYGHZ-UHFFFAOYSA-N
- SMILES： BrCC1(C)OCCCO1
Computed Properties
- Exact Mass: 193.99423
- Monoisotopic Mass: 193.994
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 89.1
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.2
- Topological Polar Surface Area: 18.5?2
Experimental Properties
- Density: 1.381
- Boiling Point: 206.6°Cat760mmHg
- Flash Point: 82.1°C
- Refractive Index: 1.46
- PSA: 18.46
1,3-Dioxane,2-(bromomethyl)-2-methyl- Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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