Cas no 26563-78-0 (1,3-Dioxolane,2-(bromomethyl)-4-methyl-, cis- (8CI,9CI))
26563-78-0 structure
Product Name:1,3-Dioxolane,2-(bromomethyl)-4-methyl-, cis- (8CI,9CI)
CAS No:26563-78-0
MF:C5H9BrO2
MW:181.027761220932
CID:276767
PubChem ID:141307
Update Time:2025-04-19
1,3-Dioxolane,2-(bromomethyl)-4-methyl-, cis- (8CI,9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxolane,2-(bromomethyl)-4-methyl-, cis- (8CI,9CI)
- (2R,4S)-2-(bromomethyl)-4-methyl-1,3-dioxolane
- SCHEMBL11482157
- DUQGHFJLJLUFMA-UHFFFAOYSA-N
- 26563-78-0
- DTXSID50949410
- cis-2-Bromomethyl-4-methyl-1,3-dioxolane
- 2-(bromomethyl)-4-methyl-1,3-dioxolane
- 2-bromomethyl-4-methyl-1,3-dioxolane
- 1,3-Dioxolane, 2-(bromomethyl)-4-methyl-, trans-
-
- Inchi： 1S/C5H9BrO2/c1-4-3-7-5(2-6)8-4/h4-5H,2-3H2,1H3
- InChI Key： DUQGHFJLJLUFMA-UHFFFAOYSA-N
- SMILES： BrCC1OCC(C)O1
Computed Properties
- Exact Mass: 179.97857
- Monoisotopic Mass: 179.979
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 1
- Complexity: 76.8
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 18.5A^2
- XLogP3: 1.1
Experimental Properties
- Density: 1.447
- Boiling Point: 186.8°Cat760mmHg
- Flash Point: 72.1°C
- Refractive Index: 1.458
- PSA: 18.46
1,3-Dioxolane,2-(bromomethyl)-4-methyl-, cis- (8CI,9CI) Related Literature
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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