[1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene]triphenylphosphine Nickel(II) Dichloride
Product Information
Molecular Formula
C45H51Cl2N2NiP
Molecular Weight
780.47
Description
1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]triphenylphosphine Nickel(II) Dichloride, an inherently complex biochemical, functions predominantly as an efficient provocateur in the intricate ballet of cross-coupling reactions.
Synonyms
[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]-triphenyl-lambda5-phosphane; dichloronickel; 1,3-Bis[2,6-di(propan-2-yl)phenyl]-2-(triphenyl-lambda~5~-phosphanylidene)-2,3-dihydro-1H-imidazole--dichloronickel (1/1)
IUPAC Name
[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]-triphenyl-λ5-phosphanedichloronickel
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)N2C=CN(C2=P(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C6=C(C=CC=C6C(C)C)C(C)C.Cl[Ni]Cl
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,1-8H32*1H/q+2/p-2
InChI Key
IGLKEXXECLLIAD-UHFFFAOYSA-L
Purity
>98.0%(T)
Appearance
Yellow to Amber to Dark red powder to crystal
Safety Information
Hazards
H315:
Causes skin irritation.
H317:
May cause an allergic skin reaction.
H319:
Causes serious eye irritation.
H334:
May cause allergy or asthma symptoms or breathing difficulties if inhaled.
H350:
May cause cancer.
H372:
Causes damage to organs through prolonged or repeated exposure.
Causes skin irritation.
H317:
May cause an allergic skin reaction.
H319:
Causes serious eye irritation.
H334:
May cause allergy or asthma symptoms or breathing difficulties if inhaled.
H350:
May cause cancer.
H372:
Causes damage to organs through prolonged or repeated exposure.
Precautionary Statement
P201:
Obtain special instructions before use.
P260:
Do not breathe dust, fumes, gas, mist, vapours, spray.
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P304+P340:
IF INHALED:
Remove person to fresh air and keep comfortable for breathing.
P308+P313:
If exposed or concerned:
Get medical advice/attention.
Obtain special instructions before use.
P260:
Do not breathe dust, fumes, gas, mist, vapours, spray.
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P304+P340:
IF INHALED:
Remove person to fresh air and keep comfortable for breathing.
P308+P313:
If exposed or concerned:
Get medical advice/attention.
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
9
Exact Mass
778.252034 g/mol
Monoisotopic Mass
778.252034 g/mol
Topological Polar Surface Area
6.5Ų
Heavy Atom Count
51
Formal Charge
0
Complexity
953
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
2
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| TW-202130635-A | Newly substituted ring-condensed compounds | 2019-10-25 |
| JP-2020111737-A | Conjugated polymer, film forming composition, organic thin film, and organic semiconductor device | 2019-01-09 |
| WO-2019240033-A1 | Method for producing dicyclohexanedicarboxylic acid diester and method for producing dicyclohexanedicarboxylic acid | 2018-06-11 |
| CN-112272661-A | Method for producing dicyclohexyldicarboxylic acid diester and method for producing dicyclohexyldicarboxylic acid | 2018-06-11 |
| JP-WO2019035408-A1 | Method for producing compound | 2017-08-18 |
| WO-2019035408-A1 | Method of producing compound | 2017-08-18 |
| JP-WO2017094872-A1 | UV absorber | 2015-12-02 |
| JP-2016121280-A | Conductive polymer, process for producing the same, conductive composition, paint, antistatic coating, and electronic member | 2014-12-25 |
| US-2015183893-A1 | Bridged Bis(Indenyl) Transitional Metal Complexes, Production, and Use Thereof | 2013-12-19 |
| US-9944665-B2 | Bridged bis(indenyl) transitional metal complexes, production, and use thereof | 2013-12-19 |
