Cas no 106181-24-2 (Benzenehexadecanoic acid, 4-iodo-)
106181-24-2 structure
Product Name:Benzenehexadecanoic acid, 4-iodo-
CAS No:106181-24-2
MF:C22H35IO2
MW:458.41657948494
CID:1173426
Update Time:2024-07-25
Benzenehexadecanoic acid, 4-iodo- Chemical and Physical Properties
Names and Identifiers
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- Benzenehexadecanoic acid, 4-iodo-
-
- Inchi： 1S/C22H35IO2/c23-21-18-16-20(17-19-21)14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-22(24)25/h16-19H,1-15H2,(H,24,25)
- InChI Key： DXSPHXFZADBWQK-UHFFFAOYSA-N
- SMILES： C1(CCCCCCCCCCCCCCCC(O)=O)=CC=C(I)C=C1
Computed Properties
- Exact Mass: 229.93369
Experimental Properties
- Density: 1.238±0.06 g/cm3(Predicted)
- Melting Point: 85-90 °C(Solv: methanol (67-56-1))
- Boiling Point: 510.4±23.0 °C(Predicted)
- PSA: 36.68
- pka: 4.78±0.10(Predicted)
Benzenehexadecanoic acid, 4-iodo- Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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