| CAS Number | 903592-98-3 |
| Catalog Number | AG003CQP(AGN-PC-0WG3N2) |
| Chemical Name | [1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene]triphenylphosphine Nickel(II) Dichloride |
| IUPAC Name | [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]-triphenyl-λ5-phosphane;dichloronickel |
| InChI | InChI=1S/C45H51N2P.2ClH.Ni/c1-32(2)39-26-18-27-40(33(3)4)43(39)46-30-31-47(44-41(34(5)6)28-19-29-42(44)35(7)8)45(46)48(36-20-12-9-13-21-36,37-22-14-10-15-23-37)38-24-16-11-17-25-38;;;/h9-35H,1-8H3;2*1H;/q;;;+2/p-2 |
| InChI Key | IGLKEXXECLLIAD-UHFFFAOYSA-L |
| MDL Number | MFCD12545958 |
| Molecular Formula | C45H51Cl2N2NiP |
| Molecular Weight | 780.4730 |
| SMILES | [Cl-][Ni+4]([Cl-])(=[C-2]1N(C=CN1C=2C(=CC=CC2C(C)C)C(C)C)C=3C(=CC=CC3C(C)C)C(C)C)[P](C=4C=CC=CC4)(C=5C=CC=CC5)C=6C=CC=CC6 |
| Synonyms | [1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene]triphenylphosphine Nickel(II) Dichloride,
903592-98-3,
ACMC-209r5v,
CTK5G7711,
DTXSID70718746,
IGLKEXXECLLIAD-UHFFFAOYSA-L,
ANW-39473,
AKOS015833437,
TR-038322,
1,3-Bis[2,6-di(propan-2-yl)phenyl]-2-(triphenyl-lambda~5~-phosphanylidene)-2,3-dihydro-1H-imidazole--dichloronickel (1/1),
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| Complexity | 953 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 778.252g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 51 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 780.484g/mol |
| Monoisotopic Mass | 778.252g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 6.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H315-H317-H319-H334-H350-H372
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Packing Group
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Precautionary statements
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P201-P202-P260-P264-P270-P272-P280-P284-P302+P352+P333+P313+P363-P304+P340+P342+P311-P305+P351+P338+P337+P313-P308+P313-P405-P501
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UN Code
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Certificate of Analysis
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