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301224-40-8

Basic Information
CAS No.: 301224-40-8
Name: (1,3-BIS-(2,4,6-TRIMETHYLPHENYL)-2-IMIDAZOLIDINYLIDENE)DICHLORO(O-ISOPROPOXYPHENYLMETHYLENE)RUTHENIUM
Article Data: 32
Molecular Structure:
Molecular Structure of 301224-40-8 ((1,3-BIS-(2,4,6-TRIMETHYLPHENYL)-2-IMIDAZOLIDINYLIDENE)DICHLORO(O-ISOPROPOXYPHENYLMETHYLENE)RUTHENIUM)
Formula: C31H38Cl2N2ORu
Molecular Weight: 627.639
Synonyms: (1,3-Dimesityl-2-imidazolidinylidene)(o-isopropoxyphenylmethylene)rutheniumdichloride;Grubbs-Hoveyda catalyst;Hoveyda II catalyst;Hoveyda catalyst;Hoveyda-Grubbs catalyst;Hoveyda-Grubbs catalyst 2nd. generation;Hoveyda-Grubbs second generation catalyst;Second-generation Hoveyda catalyst;[1,3-Bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(o-isopropoxyphenylmethylene)ruthenium;[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro[[2-(1-methylethoxy-kO)phenyl]methylene-kC]ruthenium;
EINECS: 608-446-3
Melting Point: 216-220 °C(lit.)
PSA: 15.71000
LogP: 8.18270
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Specification

The CAS registry number of Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro[[2-(1-methylethoxy-kO)phenyl]methylene-kC]-, (SP-5-41)- is 301224-40-8. This chemical's molecular formula is C31H38Cl2N2ORu and molecular weight is 626.62. Its systematic name is called [1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene](dichloro){[2-(1-methylethoxy)phenyl]methylidene}ruthenium. What's more, the product should be sealed and stored in cool and dry place.

Physical properties of Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro[[2-(1-methylethoxy-kO)phenyl]methylene-kC]-, (SP-5-41)-: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 15.71 Å2.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl[Ru](Cl)(=C3N(c1c(cc(cc1C)C)C)CCN3c2c(cc(cc2C)C)C)=Cc4ccccc4OC(C)C
(2)InChI: InChI=1/C21H26N2.C10H12O.2ClH.Ru/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-8(2)11-10-7-5-4-6-9(10)3;;;/h9-12H,7-8H2,1-6H3;3-8H,1-2H3;2*1H;/q;;;;+2/p-2/rC31H38Cl2N2ORu/c1-20(2)36-28-12-10-9-11-27(28)19-37(32,33)31-34(29-23(5)15-21(3)16-24(29)6)13-14-35(31)30-25(7)17-22(4)18-26(30)8/h9-12,15-20H,13-14H2,1-8H3
(3)InChIKey: ZRPFJAPZDXQHSM-ARQCFUQWAX