Cas no 71594-80-4 (1,4-Benzenedicarboxylic acid, 2-[2-(3-bromophenyl)ethyl]-)
![1,4-Benzenedicarboxylic acid, 2-[2-(3-bromophenyl)ethyl]- structure](https://ossimg.kuujia.com/scimg/72000/71594-80-4x500.png)
71594-80-4 structure
Product Name:1,4-Benzenedicarboxylic acid, 2-[2-(3-bromophenyl)ethyl]-
CAS No:71594-80-4
MF:C16H13BrO4
MW:349.176024198532
CID:1753228
Update Time:2024-11-27
1,4-Benzenedicarboxylic acid, 2-[2-(3-bromophenyl)ethyl]- Chemical and Physical Properties
Names and Identifiers
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- 1,4-Benzenedicarboxylic acid, 2-[2-(3-bromophenyl)ethyl]-
-
- Inchi： 1S/C16H13BrO4/c17-13-3-1-2-10(8-13)4-5-11-9-12(15(18)19)6-7-14(11)16(20)21/h1-3,6-9H,4-5H2,(H,18,19)(H,20,21)
- InChI Key： IOEMFSPRPNPFSR-UHFFFAOYSA-N
- SMILES： C1(C(O)=O)=CC=C(C(O)=O)C=C1CCC1=CC=CC(Br)=C1
Computed Properties
- Exact Mass: 347.99969
Experimental Properties
- Density: 1.557±0.06 g/cm3(Predicted)
- Melting Point: 240-245 °C
- Boiling Point: 504.7±50.0 °C(Predicted)
- PSA: 74.6
- pka: 3.72±0.36(Predicted)
1,4-Benzenedicarboxylic acid, 2-[2-(3-bromophenyl)ethyl]- Related Literature
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1. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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3. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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