Cas no 656822-36-5 (Pyrimidine, 2,4-dichloro-6-(2-phenylethyl)-)
656822-36-5 structure
Product Name:Pyrimidine, 2,4-dichloro-6-(2-phenylethyl)-
CAS No:656822-36-5
MF:C12H10Cl2N2
MW:253.127200603485
CID:1692696
Update Time:2024-09-02
Pyrimidine, 2,4-dichloro-6-(2-phenylethyl)- Chemical and Physical Properties
Names and Identifiers
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- Pyrimidine, 2,4-dichloro-6-(2-phenylethyl)-
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- Inchi： 1S/C12H10Cl2N2/c13-11-8-10(15-12(14)16-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2
- InChI Key： LQROXLLINZAYQB-UHFFFAOYSA-N
- SMILES： C1(Cl)=NC(CCC2=CC=CC=C2)=CC(Cl)=N1
Computed Properties
- Exact Mass: 252.0223
Experimental Properties
- Density: 1.309±0.06 g/cm3(Predicted)
- Boiling Point: 346.8±27.0 °C(Predicted)
- PSA: 25.78
- pka: -2.56±0.32(Predicted)
Pyrimidine, 2,4-dichloro-6-(2-phenylethyl)- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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