Cas no 82001-21-6 (1,2-Benzenedicarboxylicacid, 3,4,5,6-tetrabromo-, 1,2-bis[(2,3,4,5,6-pentabromophenyl)methyl] ester)
82001-21-6 structure
Product Name:1,2-Benzenedicarboxylicacid, 3,4,5,6-tetrabromo-, 1,2-bis[(2,3,4,5,6-pentabromophenyl)methyl] ester
CAS No:82001-21-6
MF:C22H4Br14O4
MW:1450.92075634003
CID:727542
PubChem ID:20836198
Update Time:2025-04-19
1,2-Benzenedicarboxylicacid, 3,4,5,6-tetrabromo-, 1,2-bis[(2,3,4,5,6-pentabromophenyl)methyl] ester Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarboxylicacid, 3,4,5,6-tetrabromo-, 1,2-bis[(2,3,4,5,6-pentabromophenyl)methyl] ester
- bis(pentabromobenzyl) tetrabromophthalate
- bis[(2,3,4,5,6-pentabromophenyl)methyl] 3,4,5,6-tetrabromobenzene-1,2-dicarboxylate
- 82001-21-6
- DTXSID001002372
- NS00061459
- SCHEMBL4601306
- EINECS 279-872-1
- Bis[(pentabromophenyl)methyl] 3,4,5,6-tetrabromobenzene-1,2-dicarboxylate
-
- Inchi: 1S/C22H4Br14O4/c23-7-3(8(24)14(30)19(35)13(7)29)1-39-21(37)5-6(12(28)18(34)17(33)11(5)27)22(38)40-2-4-9(25)15(31)20(36)16(32)10(4)26/h1-2H2
- InChI Key: NIMRNRQNVGDVEU-UHFFFAOYSA-N
- SMILES: BrC1C(=C(C(=C(C(=O)OCC2C(=C(C(=C(C=2Br)Br)Br)Br)Br)C=1C(=O)OCC1C(=C(C(=C(C=1Br)Br)Br)Br)Br)Br)Br)Br
Computed Properties
- Exact Mass: 1450.853359
- Monoisotopic Mass: 1436.867685
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 40
- Rotatable Bond Count: 8
- Complexity: 834
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 52.6
- XLogP3: 14.3
Experimental Properties
- Density: 2.852
- Boiling Point: 956.2°C at 760 mmHg
- Flash Point: 532.1°C
- Refractive Index: 1.746
1,2-Benzenedicarboxylicacid, 3,4,5,6-tetrabromo-, 1,2-bis[(2,3,4,5,6-pentabromophenyl)methyl] ester Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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