Cas no 139422-25-6 (Benzoic acid, 2-amino-4-chloro-6-iodo-)
139422-25-6 structure
Product Name:Benzoic acid, 2-amino-4-chloro-6-iodo-
CAS No:139422-25-6
MF:C7H5ClINO2
MW:297.477573156357
CID:1270353
Update Time:2024-08-03
Benzoic acid, 2-amino-4-chloro-6-iodo- Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 2-amino-4-chloro-6-iodo-
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- Inchi： 1S/C7H5ClINO2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,10H2,(H,11,12)
- InChI Key： BNNOTBXPKWXNFL-UHFFFAOYSA-N
- SMILES： C(O)(=O)C1=C(I)C=C(Cl)C=C1N
Computed Properties
- Exact Mass: 296.90495
Experimental Properties
- Density: 2.151±0.06 g/cm3(Predicted)
- Boiling Point: 404.6±45.0 °C(Predicted)
- PSA: 63.32
- pka: 3.37±0.10(Predicted)
Benzoic acid, 2-amino-4-chloro-6-iodo- Related Literature
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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