Cas no 51971-63-2 ( )
structure
Product Name:
CAS No:51971-63-2
MF:C8H2Br2O3
MW:305.907680988312
CID:936177
PubChem ID:350388
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 4,5-dibromo-2-benzofuran-1,3-dione
- AC1L6W5Z
- NSC509686
- NSC-509686
- NICWCCHKIXETCO-UHFFFAOYSA-N
- 51971-63-2
- SCHEMBL855919
- DTXSID30325531
-
-
- Inchi： 1S/C8H2Br2O3/c9-4-2-1-3-5(6(4)10)8(12)13-7(3)11/h1-2H
- InChI Key： NICWCCHKIXETCO-UHFFFAOYSA-N
- SMILES： BrC1=C(C=CC2C(=O)OC(C=21)=O)Br
Computed Properties
- Exact Mass: 303.83696
- Monoisotopic Mass: 303.837
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 266
- 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: 2.7
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- Density: 2.267
- Boiling Point: 432.5°C at 760 mmHg
- Flash Point: 215.4°C
- Refractive Index: 1.681
- PSA: 43.37
- LogP: 2.52220
Related Literature
-
Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
-
5. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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