Chloro(1,5-cyclooctadiene)iridium(I) dimer

Catalog Number	ACM12112673-4
CAS	12112-67-3
Structure
Synonyms	Bis(1,5-cyclooctadiene)diiridium(I) dichloride
IUPAC Name	(1Z,5Z)-cycloocta-1,5-diene;iridium;dichloride;
Molecular Weight	671.71
Molecular Formula	C16H24Cl2Ir2
Canonical SMILES	C1CC=CCCC=C1.C1CC=CCCC=C1.[Cl-].[Cl-].[Ir].[Ir]
InChI	InChI=1S/2C8H12.2ClH.2Ir/c2*1-2-4-6-8-7-5-3-1;/h2*1-2,7-8H,3-6H2;2*1H;/p-2/b2*2-1-,8-7-;
InChI Key	SHZHQWGWORCBJK-MIXQCLKLSA-L
Melting Point	205 °C
Purity	99%
Appearance	Red brown powder
Application	1. Precursor to catalysts for the asymmetric hydrogenation of tri- and tetrasubstituted olefins. 2. Precursor to catalyst for enantioselective reduction of imines. 3. Precursor to catalyst for allylic alkylation. 4. Precursor to catalyst for allylic amination and etherification. 5. Precursor to catalyst for the reaction of aroyl chlorides with internal alkynes to produce substituted naphthalenes and anthracenes. 6. Ir-catalyzed addition of acid chlorides to terminal alkynes. 7. Intramolecular hydroamination of unactivated alkenes with secondary alkyl- and arylamines. 8. Enantioselective [2+2] cycloaddition. 9. Silyl-directed, Ir-catalyzed ortho-borylation of arenes. 10. Ir-catalyzed cross-coupling of styrene derivatives with allylic carbonates. 11. Transfer hydrogenative C-C coupling
Storage	2-8°C
Complexity	72.6
Covalently-Bonded Unit Count	6
Defined Atom Stereocenter Count	0
EC Number	235-170-7
Exact Mass	670.04902
Formal Charge	-2
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isomeric SMILES	C1/C=C\CC/C=C\C1.C1/C=C\CC/C=C\C1.[Cl-].[Cl-].[Ir].[Ir]
Monoisotopic Mass	672.05135
Rotatable Bond Count	0
Topological Polar Surface Area	0 Ų

Q&A

What is the PubChem CID for Chloro(1,5-cyclooctadiene)iridium(I) Dimer?

The PubChem CID for Chloro(1,5-cyclooctadiene)iridium(I) Dimer is 6436381.

What is the molecular formula of Chloro(1,5-cyclooctadiene)iridium(I) Dimer?

The molecular formula of Chloro(1,5-cyclooctadiene)iridium(I) Dimer is C16H24Cl2Ir2 -2.

What are the synonyms for Chloro(1,5-cyclooctadiene)iridium(I) Dimer?

The synonyms for Chloro(1,5-cyclooctadiene)iridium(I) Dimer are:
12112-67-3
Chloro(1,5-cyclooctadiene)iridium(I) dimer
Bis(1,5-cyclooctadiene)diiridium(I) dichloride
(1Z,5Z)-cycloocta-1,5-diene;iridium;dichloride
Iridium, di-.mu.-chlorobis[(1,2,5,6-.eta.)-1,5-cyclooctadiene]

What is the molecular weight of Chloro(1,5-cyclooctadiene)iridium(I) Dimer?

The molecular weight of Chloro(1,5-cyclooctadiene)iridium(I) Dimer is 671.7 g/mol.

What is the IUPAC name of Chloro(1,5-cyclooctadiene)iridium(I) Dimer?

The IUPAC name of Chloro(1,5-cyclooctadiene)iridium(I) Dimer is (1Z,5Z)-cycloocta-1,5-diene;iridium;dichloride.

What is the InChI of Chloro(1,5-cyclooctadiene)iridium(I) Dimer?

The InChI of Chloro(1,5-cyclooctadiene)iridium(I) Dimer is InChI=1S/2C8H12.2ClH.2Ir/c2*1-2-4-6-8-7-5-3-1;;;;/h2*1-2,7-8H,3-6H2;2*1H;;/p-2/b2*2-1-,8-7-;;;;.

What is the InChIKey of Chloro(1,5-cyclooctadiene)iridium(I) Dimer?

The InChIKey of Chloro(1,5-cyclooctadiene)iridium(I) Dimer is SHZHQWGWORCBJK-MIXQCLKLSA-L.

What is the canonical SMILES of Chloro(1,5-cyclooctadiene)iridium(I) Dimer?

The canonical SMILES of Chloro(1,5-cyclooctadiene)iridium(I) Dimer is C1CC=CCCC=C1.C1CC=CCCC=C1.[Cl-].[Cl-].[Ir].[Ir].

What is the CAS number of Chloro(1,5-cyclooctadiene)iridium(I) Dimer?

The CAS number of Chloro(1,5-cyclooctadiene)iridium(I) Dimer is 12112-67-3.

What is the isomeric SMILES of Chloro(1,5-cyclooctadiene)iridium(I) Dimer?

The isomeric SMILES is C1/C=C\CC/C=C\C1.C1/C=C\CC/C=C\C1.[Cl-].[Cl-].[Ir].[Ir].

What is the EC number of Chloro(1,5-cyclooctadiene)iridium(I) Dimer?

The EC number is 235-170-7.

What is the hydrogen bond donor count of Chloro(1,5-cyclooctadiene)iridium(I) Dimer?

The hydrogen bond donor count is 0.