Cas no 58235-54-4 (2-bromo-1-(4-bromo-2,6-dimethoxyphenoxy)-3,4,5-trimethoxybenzene)
58235-54-4 structure
Product Name:2-bromo-1-(4-bromo-2,6-dimethoxyphenoxy)-3,4,5-trimethoxybenzene
CAS No:58235-54-4
MF:C17H18Br2O6
MW:478.129224300385
CID:948220
PubChem ID:314905
Update Time:2025-04-19
2-bromo-1-(4-bromo-2,6-dimethoxyphenoxy)-3,4,5-trimethoxybenzene Chemical and Physical Properties
Names and Identifiers
-
- 2-bromo-1-(4-bromo-2,6-dimethoxyphenoxy)-3,4,5-trimethoxybenzene
- DTXSID90311016
- 58235-54-4
- NSC-237506
- NSC237506
-
- Inchi： 1S/C17H18Br2O6/c1-20-11-6-9(18)7-12(21-2)15(11)25-10-8-13(22-3)16(23-4)17(24-5)14(10)19/h6-8H,1-5H3
- InChI Key： RSAPJZJRTJIRKS-UHFFFAOYSA-N
- SMILES： BrC1C(=C(C(=CC=1OC1C(=CC(=CC=1OC)Br)OC)OC)OC)OC
Computed Properties
- Exact Mass: 475.94694
- Monoisotopic Mass: 475.947
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 25
- Rotatable Bond Count: 7
- Complexity: 387
- 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: 4.7
- Topological Polar Surface Area: 55.4?2
Experimental Properties
- Density: 1.53
- Boiling Point: 457.9°C at 760 mmHg
- Flash Point: 190.6°C
- Refractive Index: 1.563
- PSA: 55.38
2-bromo-1-(4-bromo-2,6-dimethoxyphenoxy)-3,4,5-trimethoxybenzene Related Literature
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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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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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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