Cas no 1940-81-4 (2,3-dibromo-4-(hydroxymethyl)-6-methoxyphenol)
1940-81-4 structure
Product Name:2,3-dibromo-4-(hydroxymethyl)-6-methoxyphenol
CAS No:1940-81-4
MF:C8H8Br2O3
MW:311.955321311951
CID:1386686
PubChem ID:957513
Update Time:2025-04-20
2,3-dibromo-4-(hydroxymethyl)-6-methoxyphenol Chemical and Physical Properties
Names and Identifiers
-
- 2,3-dibromo-4-(hydroxymethyl)-6-methoxyphenol
- benzenemethanol, 2,3-dibromo-4-hydroxy-5-methoxy-
- DTXSID60359304
- AKOS000335952
- 1940-81-4
- STK198996
-
- Inchi： 1S/C8H8Br2O3/c1-13-5-2-4(3-11)6(9)7(10)8(5)12/h2,11-12H,3H2,1H3
- InChI Key： YEZYWTTWXJRYOP-UHFFFAOYSA-N
- SMILES： COC1C(O)=C(Br)C(Br)=C(CO)C=1
Computed Properties
- Exact Mass: 309.88394
- Monoisotopic Mass: 309.88402g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 168
- 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: 2
- Topological Polar Surface Area: 49.7?2
Experimental Properties
- Density: 1.973
- Boiling Point: 377.7°C at 760 mmHg
- Flash Point: 182.2°C
- Refractive Index: 1.635
- PSA: 49.69
- LogP: 2.41810
2,3-dibromo-4-(hydroxymethyl)-6-methoxyphenol Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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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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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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