Cas no 19403-94-2 (Benzene, 1,2,4,5-tetrabromo-3,6-dimethoxy-)
19403-94-2 structure
Product Name:Benzene, 1,2,4,5-tetrabromo-3,6-dimethoxy-
CAS No:19403-94-2
MF:C8H6Br4O2
MW:453.748039722443
CID:1386680
PubChem ID:2748262
Update Time:2025-04-20
Benzene, 1,2,4,5-tetrabromo-3,6-dimethoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1,2,4,5-tetrabromo-3,6-dimethoxy-
- SCHEMBL17910250
- AKOS004903734
- DTXSID40372713
- 1,2,4,5-tetrabromo-3,6-dimethoxybenzene
- 1,4-Dimethoxy-2,3,5,6-tetrabromobenzene
- 19403-94-2
-
- MDL： MFCD00192710
- Inchi： 1S/C8H6Br4O2/c1-13-7-3(9)5(11)8(14-2)6(12)4(7)10/h1-2H3
- InChI Key： HKFSRBRPQZBBFJ-UHFFFAOYSA-N
- SMILES： BrC1C(=C(C(=C(C=1OC)Br)Br)OC)Br
Computed Properties
- Exact Mass: 449.70998
- Monoisotopic Mass: 449.71013g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 156
- 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: 4.6
- Topological Polar Surface Area: 18.5?2
Experimental Properties
- PSA: 18.46
Benzene, 1,2,4,5-tetrabromo-3,6-dimethoxy- Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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