Cas no 102998-69-6 (Benzene,1-(iodomethyl)-2,4-dimethyl-)
102998-69-6 structure
Product Name:Benzene,1-(iodomethyl)-2,4-dimethyl-
CAS No:102998-69-6
MF:C9H11I
MW:246.088114976883
CID:105829
PubChem ID:2763038
Update Time:2025-04-18
Benzene,1-(iodomethyl)-2,4-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1-(iodomethyl)-2,4-dimethyl-
- 1-(iodomethyl)-2,4-dimethylbenzene
- 1-(IODOMETHYL)-2,4-DIMETHYL-BENZENE
- 2,4-Dimethylbenzyl iodide
- Benzene,1-(iodomethyl)-2,4-dimethyl
- 102998-69-6
- FT-0704445
- SCHEMBL608419
- AKOS015908524
- DTXSID50376686
-
- Inchi： 1S/C9H11I/c1-7-3-4-9(6-10)8(2)5-7/h3-5H,6H2,1-2H3
- InChI Key： FPIGUZMINFLMCN-UHFFFAOYSA-N
- SMILES： ICC1C=CC(C)=CC=1C
Computed Properties
- Exact Mass: 245.99100
- Monoisotopic Mass: 245.991
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 101
- 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: 3.7
- Topological Polar Surface Area: 0?2
Experimental Properties
- Density: 1.566
- Boiling Point: 259.3 °C at 760 mmHg
- Flash Point: 113.7 °C
- Refractive Index: 1.6
- PSA: 0.00000
- LogP: 3.23840
Benzene,1-(iodomethyl)-2,4-dimethyl- Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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