Cas no 6936-75-0 ( )
structure
Product Name:
CAS No:6936-75-0
MF:C6H3I2NO3
MW:390.901866197586
CID:973551
PubChem ID:227763
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 3,5-diiodo-4-nitrophenol
- AC1L5FQ8
- AC1Q4PAO
- AG-K-72430
- AR-1E9689
- CTK5C9518
- NSC19783
- NSC-19783
- SureCN1905941
- 6936-75-0
- DTXSID30281022
- SCHEMBL1905941
-
-
- Inchi： 1S/C6H3I2NO3/c7-4-1-3(10)2-5(8)6(4)9(11)12/h1-2,10H
- InChI Key： CLDJFXCAIWYRQM-UHFFFAOYSA-N
- SMILES： IC1C=C(C=C(C=1[N+](=O)[O-])I)O
Computed Properties
- Exact Mass: 390.81929
- Monoisotopic Mass: 390.82
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 172
- 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: 2.7
- Topological Polar Surface Area: 66?2
Experimental Properties
- Density: 2.717
- Boiling Point: 466.2°C at 760 mmHg
- Flash Point: 235.8°C
- Refractive Index: 1.782
- PSA: 63.37
- LogP: 3.03280
Related Literature
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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