Cas no 870077-58-0 (Benzenamine, 4-ethyl-2,6-diiodo-)
870077-58-0 structure
Product Name:Benzenamine, 4-ethyl-2,6-diiodo-
CAS No:870077-58-0
MF:C8H9I2N
MW:372.97270655632
CID:1859172
Update Time:2025-01-09
Benzenamine, 4-ethyl-2,6-diiodo- Chemical and Physical Properties
Names and Identifiers
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- Benzenamine, 4-ethyl-2,6-diiodo-
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- Inchi： 1S/C8H9I2N/c1-2-5-3-6(9)8(11)7(10)4-5/h3-4H,2,11H2,1H3
- InChI Key： LXJRZIGZSCIQLU-UHFFFAOYSA-N
- SMILES： C1(N)=C(I)C=C(CC)C=C1I
Computed Properties
- Exact Mass: 372.882
- Monoisotopic Mass: 372.882
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 117
- 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: 26A^2
Experimental Properties
- Density: 2.211±0.06 g/cm3(Predicted)
- Melting Point: 107.4-108.1 °C
- Boiling Point: 349.4±42.0 °C(Predicted)
- pka: 0.96±0.10(Predicted)
Benzenamine, 4-ethyl-2,6-diiodo- Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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