Cas no 51986-91-5 (1,2-Benzenedicarboxylicacid, 4,4'-carbonylbis-, 2,2'-diethyl ester (9CI))
51986-91-5 structure
Product Name:1,2-Benzenedicarboxylicacid, 4,4'-carbonylbis-, 2,2'-diethyl ester (9CI)
CAS No:51986-91-5
MF:C21H18O9
MW:414.362226963043
CID:372921
PubChem ID:104044
Update Time:2025-04-19
1,2-Benzenedicarboxylicacid, 4,4'-carbonylbis-, 2,2'-diethyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarboxylicacid, 4,4'-carbonylbis-, 2,2'-diethyl ester (9CI)
- 2,2'-diethyl dihydrogen 4,4'-carbonylbisphthalate
- 4-(4-carboxy-3-ethoxycarbonylbenzoyl)-2-ethoxycarbonylbenzoic acid
- 4,4'-carbonylbis[2-(ethoxycarbonyl)benzoic acid]
- 1,2-Benzenedicarboxylic acid, 4,4'-carbonylbis-, 2,2'-diethyl ester
- SCHEMBL1893530
- diethyl-3,3',4,4'-benzophenone tetracarboxylate
- EINECS 257-578-4
- DTXSID20199945
- 51986-91-5
- 6T97YE5U2S
- 4,4'-carbonylbis(2-(ethoxycarbonyl)benzoic acid)
- NS00032396
-
- Inchi： 1S/C21H18O9/c1-3-29-20(27)15-9-11(5-7-13(15)18(23)24)17(22)12-6-8-14(19(25)26)16(10-12)21(28)30-4-2/h5-10H,3-4H2,1-2H3,(H,23,24)(H,25,26)
- InChI Key： GUELVDUBXBMBMG-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C(C(=O)O)=CC=C(C=1)C(C1=CC=C(C(=O)O)C(C(=O)OCC)=C1)=O)=O
Computed Properties
- Exact Mass: 414.09504
- Monoisotopic Mass: 414.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 30
- Rotatable Bond Count: 10
- Complexity: 630
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2.8
- Topological Polar Surface Area: 144?2
Experimental Properties
- Density: 1.374
- Boiling Point: 665.9°C at 760 mmHg
- Flash Point: 234.9°C
- Refractive Index: 1.597
- PSA: 144.27
1,2-Benzenedicarboxylicacid, 4,4'-carbonylbis-, 2,2'-diethyl ester (9CI) Related Literature
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
51986-91-5 (1,2-Benzenedicarboxylicacid, 4,4'-carbonylbis-, 2,2'-diethyl ester (9CI)) Related Products
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