Cas no 28769-00-8 (Benzoic acid,2,5-diiodo-, ethyl ester)
28769-00-8 structure
Product Name:Benzoic acid,2,5-diiodo-, ethyl ester
CAS No:28769-00-8
MF:C9H8I2O2
MW:401.967567443848
CID:239905
PubChem ID:11211790
Update Time:2025-04-19
Benzoic acid,2,5-diiodo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,2,5-diiodo-, ethyl ester
- 2,5-diiodo-benzoic acid ethyl ester
- 2,5-Dijod-benzoesaeure-aethylester
- AG-E-92835
- AGN-PC-004GPW
- AS02157
- CTK4G2053
- KB-252339
- Ethyl 2,5-diiodobenzoate
- DTXSID40458925
- AKOS017340747
- 28769-00-8
-
- Inchi： 1S/C9H8I2O2/c1-2-13-9(12)7-5-6(10)3-4-8(7)11/h3-5H,2H2,1H3
- InChI Key： BNHVCLYNDXUAFH-UHFFFAOYSA-N
- SMILES： IC1C=CC(=CC=1C(=O)OCC)I
Computed Properties
- Exact Mass: 401.86044
- Monoisotopic Mass: 401.86137g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 185
- 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: 3.4
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 2.138
- Boiling Point: 360.7°C at 760 mmHg
- Flash Point: 172°C
- Refractive Index: 1.648
- PSA: 26.3
Benzoic acid,2,5-diiodo-, ethyl ester Related Literature
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
28769-00-8 (Benzoic acid,2,5-diiodo-, ethyl ester) Related Products
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- 933585-44-5(Ethyl 2-iodo-5-methylbenzoate)
- 5471-81-8(4-Iodo-3-methylbenzoic Acid Methyl Ester)
- 1829-28-3(Ethyl 2-iodobenzoate)
- 106589-18-8(1,3-Benzenedicarboxylicacid, 2-iodo-, 1,3-dimethyl ester)
- 859212-59-2(Ethyl 3-iodo-4-methylbenzoate)
- 610-97-9(Methyl 2-iodobenzoate)
- 103440-52-4(Methyl 2-iodo-5-methylbenzoate)
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