Cas no 79211-40-8 (1,3,5-Benzenetricarbonyltrichloride, 2,4,6-triiodo-)
79211-40-8 structure
Product Name:1,3,5-Benzenetricarbonyltrichloride, 2,4,6-triiodo-
CAS No:79211-40-8
MF:C9Cl3I3O3
MW:643.166916847229
CID:579618
PubChem ID:12940477
Update Time:2025-04-19
1,3,5-Benzenetricarbonyltrichloride, 2,4,6-triiodo- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5-Benzenetricarbonyltrichloride, 2,4,6-triiodo-
- 2,4,6-triiodobenzene-1,3,5-tricarbonyl chloride
- 2,4,6-Triiodobenzene-1,3,5-tricarbonyl trichloride
- DTXSID30229580
- EINECS 279-111-3
- NS00038030
- SCHEMBL9787607
- 79211-40-8
-
- Inchi： 1S/C9Cl3I3O3/c10-7(16)1-4(13)2(8(11)17)6(15)3(5(1)14)9(12)18
- InChI Key： UEQABUISLVYURQ-UHFFFAOYSA-N
- SMILES： IC1C(C(=O)Cl)=C(C(C(=O)Cl)=C(C=1C(=O)Cl)I)I
Computed Properties
- Exact Mass: 641.604706
- Monoisotopic Mass: 641.604706
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 317
- 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: 51.2
- XLogP3: 5.4
Experimental Properties
- Density: 2.738
- Boiling Point: 576.4°Cat760mmHg
- Flash Point: 302.4°C
- Refractive Index: 1.75
1,3,5-Benzenetricarbonyltrichloride, 2,4,6-triiodo- Related Literature
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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