Cas no 7259-89-4 (1,3-Benzenedicarboxylicacid, 5-nitro-, 1,3-bis(2-hydroxyethyl) ester)
7259-89-4 structure
Product Name:1,3-Benzenedicarboxylicacid, 5-nitro-, 1,3-bis(2-hydroxyethyl) ester
CAS No:7259-89-4
MF:C12H13NO8
MW:299.233524084091
CID:566437
PubChem ID:81679
Update Time:2025-04-19
1,3-Benzenedicarboxylicacid, 5-nitro-, 1,3-bis(2-hydroxyethyl) ester Chemical and Physical Properties
Names and Identifiers
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- 1,3-Benzenedicarboxylicacid, 5-nitro-, 1,3-bis(2-hydroxyethyl) ester
- bis(2-hydroxyethyl) 5-nitrobenzene-1,3-dicarboxylate
- bis(2-hydroxyethyl) 5-nitroisophthalate
- 1,3-Benzenedicarboxylic acid, 5-nitro-, bis(2-hydroxyethyl) ester
- 5-Nitroisophthalic acid, bis(2-hydroxyethyl) ester
- Potassium 1,3-dimethyl 5-sulfoisophthalate
- DTXSID20884364
- Bis-(2-hydroxyethyl)5-nitroisophthalate
- 7259-89-4
- EINECS 230-680-6
- NS00044043
- 1,3-Benzenedicarboxylic acid, 5-nitro-, 1,3-bis(2-hydroxyethyl) ester
-
- Inchi： 1S/C12H13NO8/c14-1-3-20-11(16)8-5-9(12(17)21-4-2-15)7-10(6-8)13(18)19/h5-7,14-15H,1-4H2
- InChI Key： DVVHFUKYLNIPIH-UHFFFAOYSA-N
- SMILES： O(CCO)C(C1C=C(C=C(C(=O)OCCO)C=1)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 299.06409
- Monoisotopic Mass: 299.064
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 21
- Rotatable Bond Count: 8
- Complexity: 352
- 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
- Topological Polar Surface Area: 139A^2
- XLogP3: 0.1
Experimental Properties
- Density: 1.459
- Boiling Point: 524.8°C at 760 mmHg
- Flash Point: 271.2°C
- Refractive Index: 1.584
- PSA: 136.2
1,3-Benzenedicarboxylicacid, 5-nitro-, 1,3-bis(2-hydroxyethyl) ester Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
7259-89-4 (1,3-Benzenedicarboxylicacid, 5-nitro-, 1,3-bis(2-hydroxyethyl) ester) Related Products
- 2702-58-1(Methyl 3,5-dinitrobenzoate)
- 77324-87-9(Methyl 2-methyl-5-nitrobenzoate)
- 5466-84-2(4-Nitrophthalic anhydride)
- 610-93-5(6-Nitrophthalide)
- 13290-96-5(Dimethyl 5-nitroisophthalate)
- 619-50-1(Methyl 4-nitrobenzoate)
- 1955-46-0(Methyl 5-Nitroisophthalate)
- 610-22-0(1,2-Dimethyl 4-nitrophthalate)
- 618-95-1(Methyl 3-nitrobenzoate)
- 99-77-4(ethyl-P-nitrobenzoate)
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