basic_info |
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Product_Name: | BIS(1,5-CYCLOOCTADIENE)IRIDIUM(I) TETRAKIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]BORATE |
CAS: | 666826-16-0 |
EnglishSynonyms: | BIS(CYCLOOCTADIENE)IRIDIUM(I)(TETRAKIS-[3,5-BIS(TRIFLUORMETHYL)PHENYL]BORATE) ; BIS(1,5-CYCLOOCTADIENE)IRIDIUM(I) TETRAKIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]BORATE ; BIS(CYCLOOCTADIENE)IRIDIUM(I) TETRAKIS(3,5-BIS(TRIFLUOROMETHYL)PHENYL)BORATE |
pro_mdlNumber: | MFCD10567389 |
pro_acceptors: | 0 |
pro_donors: | 0 |
pro_smile: | [B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)(c3cc(cc(c3)C(F)(F)F)C(F)(F)F)c4cc(cc(c4)C(F)(F)F)C(F)(F)F.C/1C/C=C\CC/C=C1.C/1C/C=C\CC/C=C1.[Ir+] |
InChi: | InChI=1S/C32H12BF24.2C8H12.Ir/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;2*1-2-4-6-8-7-5-3-1;/h1-12H;2*1-2,7-8H,3-6H2;/q-1;;;+1/b;2*2-1-,8-7-; |
InChiKey: | InChIKey=YQXKTVMJDKWGHI-AUUWQFPRSA-N |
property |
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Comments: | APPLICATION: CATALYST FOR: ASYMMETRIC HYDROGENATION REACTIONS. DIRECTED CYCLODEHYDRATION REACTION. DIRECT PRENYLATION VIA C-H OXIDATIVE ADDITION-ALLENE INSERTION. DOUBLE INTRAMOLECULAR HYDROALKOXYLATION. INTRAMOLECULAR HYDROAMINATION REACTIONS. DIRECTED C-H BOND CLEAVAGE. IMINE VINYLATION REACTIONS UMICORE PRECATALYSTS FOR ASYMMETRIC AND CROSS-COUPLING CATALYSIS UNSPSC: 12352103 WGK: 3 |
secure_info |
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secure_symbol: |
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secure_signal_word: | Warning |
secure_risk_stmt: | H315-H319-H335 |
secure_cautionary_stmt: | P261-P305 + P351 + P338 |
secure_damage_code: | Xi |
secure_risk_disclosure_stmt: | R:36/37/38 |
secure_security_stmt: | S:26 |
secure_wgk_germany: | 3 |
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