Cas no 36415-60-8 (Benzoic acid,2-(acetyloxy)-3,5-diiodo-)
36415-60-8 structure
Product Name:Benzoic acid,2-(acetyloxy)-3,5-diiodo-
CAS No:36415-60-8
MF:C9H6I2O4
MW:431.950487613678
CID:313890
PubChem ID:160267
Update Time:2025-04-19
Benzoic acid,2-(acetyloxy)-3,5-diiodo- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,2-(acetyloxy)-3,5-diiodo-
- 2-acetyloxy-3,5-diiodobenzoic acid
- 3,5-Diiodo-2-acetoxybenzoic acid
- Salicylic acid, 3,5-diiodo-, acetate
- 3,5-Diiodosalicylic acid acetate
- 36415-60-8
- 3,5-Diiodoaspirin
- BRN 2651990
- 4-10-00-00226 (Beilstein Handbook Reference)
- Benzoic acid, 2-(acetyloxy)-3,5-diiodo-
- SCHEMBL4317657
- DTXSID80189943
-
- Inchi： 1S/C9H6I2O4/c1-4(12)15-8-6(9(13)14)2-5(10)3-7(8)11/h2-3H,1H3,(H,13,14)
- InChI Key： HDTQWKDSSYKXHP-UHFFFAOYSA-N
- SMILES： IC1=CC(=CC(C(=O)O)=C1OC(C)=O)I
Computed Properties
- Exact Mass: 431.83458
- Monoisotopic Mass: 431.836
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 269
- 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: 4.1
- Topological Polar Surface Area: 63.6?2
Experimental Properties
- Density: 2.35
- Boiling Point: 459.9°Cat760mmHg
- Flash Point: 231.9°C
- Refractive Index: 1.691
- PSA: 63.6
Benzoic acid,2-(acetyloxy)-3,5-diiodo- Related Literature
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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