| CAS Number | 944451-29-0 |
| Catalog Number | AG003COJ(AGN-PC-0W41TD) |
| Chemical Name | Chloro[(S)-(-)-5,5'-bis(diphenylphosphino)-4,4'-bi-1,3-benzodioxole](p-cymene)ruthenium(II) Chloride |
| IUPAC Name | [4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane;1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride |
| InChI | InChI=1S/C38H28O4P2.C10H14.2ClH.Ru/c1-5-13-27(14-6-1)43(28-15-7-2-8-16-28)33-23-21-31-37(41-25-39-31)35(33)36-34(24-22-32-38(36)42-26-40-32)44(29-17-9-3-10-18-29)30-19-11-4-12-20-30;1-8(2)10-6-4-9(3)5-7-10;;;/h1-24H,25-26H2;4-8H,1-3H3;2*1H;/q;;;;+2/p-2 |
| InChI Key | HZLSGDCLBWZKRB-UHFFFAOYSA-L |
| MDL Number | MFCD09753017 |
| Molecular Formula | C48H40Cl2O4P2Ru |
| Molecular Weight | 914.7523 |
| SMILES | [Cl-][Ru+2]123456(C7(C(C)C)=C1C2=C3(C)C4=C57)(P(C8=CC=CC=C8)(C9=CC=CC=C9)C%10=CC=C(OCO%11)C%11=C%10C%12=C(OCO%13)C%13=CC=C%12P6(C%14=CC=CC=C%14)C%15=CC=CC=C%15)[Cl-] |
| Synonyms | 944451-28-9,
944451-29-0,
[RuCl(p-cymene)((R)-segphos(regR))]Cl,
[RuCl(p-cymene)((S)-segphos(regR))]Cl,
R0154,
R0155,
CHLORO[(R)-(+)-5,5'-BIS(DIPHENYLPHOSPHINO)-4,4'-BI-1,3-BENZODIOXOLE](P-CYMENE)RUTHENIUM(II) CHLORIDE,
CHLORO[(S)-(-)-5,5'-BIS(DIPHENYLPHOSPHINO)-4,4'-BI-1,3-BENZODIOXOLE](P-CYMENE)RUTHENIUM(II) CHLORIDE,
|
| Complexity | 874 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 5 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 916.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 57 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 916.778g/mol |
| Monoisotopic Mass | 916.098g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 36.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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\N
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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\N
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Certificate of Analysis
Lot Number