Cas no 499157-27-6 (Benzoic acid, 2-iodo-5-methyl-, 1,1-dimethylethyl ester)
499157-27-6 structure
Product Name:Benzoic acid, 2-iodo-5-methyl-, 1,1-dimethylethyl ester
CAS No:499157-27-6
MF:C12H15IO2
MW:318.150776147842
CID:1539256
Update Time:2024-08-23
Benzoic acid, 2-iodo-5-methyl-, 1,1-dimethylethyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 2-iodo-5-methyl-, 1,1-dimethylethyl ester
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- Inchi： 1S/C12H15IO2/c1-8-5-6-10(13)9(7-8)11(14)15-12(2,3)4/h5-7H,1-4H3
- InChI Key： GHRRRDZKXPQQBT-UHFFFAOYSA-N
- SMILES： C(OC(C)(C)C)(=O)C1=CC(C)=CC=C1I
Computed Properties
- Exact Mass: 318.01125
Experimental Properties
- Density: 1.478±0.06 g/cm3(Predicted)
- Boiling Point: 317.4±22.0 °C(Predicted)
- PSA: 26.3
Benzoic acid, 2-iodo-5-methyl-, 1,1-dimethylethyl ester Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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