Chloro[hydrotris(pyrazol-1-yl)borato]bis(triphenylphosphine)ruthenium(II) ethanol adduct

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Catalog Number
ACM141686217-1
Product Name
Chloro[hydrotris(pyrazol-1-yl)borato]bis(triphenylphosphine)ruthenium(II) ethanol adduct
CAS
141686-21-7
Category
Ruthenium series catalysts
Synonyms
141686-21-7;Chloro[hydrotris(pyrazol-1-yl)borato]bis(triphenylphosphine)ruthenium(II) ethanol adduct;CHLORO(HYDROTRIS(PYRAZOL-1-YL)BORATO)BIS(TRIPHENYLPHOSPHINE)RUTHENIUM(II) ETHANOL ADDUCT;MFCD04038740;SC10257;Chloro[hydrotris(pyrazol-1-yl)borato]bis(triphenylphosphine)ruthenium(II)-dichloromethane/ethanol adduct;
IUPAC Name
chlororuthenium(1+);di(pyrazol-1-yl)-(3H-pyrazol-2-yl)boron(1-);ethanol;triphenylphosphane;
Molecular Weight
919.2
Molecular Formula
C47H45BClN6OP2Ru
Canonical SMILES
[B-](N1CC=C=N1)(N2C=CC=N2)N3C=CC=N3.CCO.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.Cl[Ru+]
InChI
InChI=1S/2C18H15P.C9H9BN6.C2H6O.ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;1-2-3;/h2*1-15H;1-5,7-8H,9H2;3H,2H2,1H3;1H;/q;-1;+2/p-1
InChI Key
YZFSHVVOAGLJLI-UHFFFAOYSA-M
Appearance
Powder
Application
Catalyst used with hydrazines for the transformation of terminal alkynes to nitriles.
Complexity
506
Covalently-Bonded Unit Count
5
Exact Mass
919.195507
H-Bond Acceptor
6
H-Bond Donor
1
Heavy Atom Count
59
Hydrogen Bond Acceptor Count
6
Hydrogen Bond Donor Count
1
Monoisotopic Mass
919.195507
Rotatable Bond Count
9
Topological Polar Surface Area
71.5 Ų
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