Cas no 125677-99-8 (1,3-Benzenediamine, 4,6-diiodo-)
125677-99-8 structure
Product Name:1,3-Benzenediamine, 4,6-diiodo-
CAS No:125677-99-8
MF:C6H6I2N2
MW:359.934185504913
CID:1218236
PubChem ID:14573520
Update Time:2025-04-20
1,3-Benzenediamine, 4,6-diiodo- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenediamine, 4,6-diiodo-
- 4,6-diiodobenzene-1,3-diamine
- 125677-99-8
- 2,4-diamino-1,5-diiodobenzene
- DTXSID70561830
- SCHEMBL5518300
-
- Inchi： 1S/C6H6I2N2/c7-3-1-4(8)6(10)2-5(3)9/h1-2H,9-10H2
- InChI Key： DWPIZDKIKWDFAB-UHFFFAOYSA-N
- SMILES： IC1C=C(C(=CC=1N)N)I
Computed Properties
- Exact Mass: 359.86118
- Monoisotopic Mass: 359.86204g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 108
- 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: 1.9
- Topological Polar Surface Area: 52?2
Experimental Properties
- PSA: 52.04
1,3-Benzenediamine, 4,6-diiodo- Related Literature
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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