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(1,3-Dimesitylimidazol-2-ylidene)nickel(0) Bis(di-tert-butyl Fumarate)

(1,3-Dimesitylimidazol-2-ylidene)nickel(0) Bis(di-tert-butyl Fumarate)

Inquiry

Molecular Formula:

C45H64N2NiO8

Molecular Weight:

819.71

CAS Number:

2230140-59-5

Catalog Number:

2230140-59-5

Product Information

Molecular Formula:

C45H64N2NiO8

Molecular Weight:

819.71

Description

(1,3-Dimesitylimidazol-2-ylidene)nickel(0) Bis(di-tert-butyl Fumarate) is a complex utilized in biomedical research for studies related to catalysis.

Synonyms

Ni(IMes)(Di-tert-butyl Fumarate)2||||[1,3-Bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]bis(di-tert-butyl Fumarate) Nickel(0)||||(1,3-Dimesityl-2,3-dihydro-1H-imidazol-2-ylidene)nickel(0) Bis(di-tert-butyl Fumarate)

IUPAC Name

1,3-bis(2,4,6-trimethylphenyl)-2H-imidazoleditert-butyl (E)-but-2-enedioatenickel

Canonical SMILES

CC1=CC(=C(C(=C1)C)N2CN(C=C2)C3=C(C=C(C=C3C)C)C)C.CC(C)(C)OC(=O)C=CC(=O)OC(C)(C)C.CC(C)(C)OC(=O)C=CC(=O)OC(C)(C)C.[Ni]

InChI

InChI=1S/C21H26N2.2C12H20O4.Ni/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)62*1-11(2,3)15-9(13)7-8-10(14)16-12(4,5)6/h7-12H,13H2,1-6H32*7-8H,1-6H3/b2*8-7+

InChI Key

NAUZISBIAJSKIT-RKDKPBPFSA-N

Purity

>98.0%(T)

Appearance

Light yellow to Brown powder to crystal

Storage

<0°C

Safety Information

Hazards

H317:
May cause an allergic skin reaction.
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.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P284:
[In case of inadequate ventilation] wear respiratory protection. [As modified by IV ATP].
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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

820.417259 g/mol

Monoisotopic Mass

820.417259 g/mol

Topological Polar Surface Area

112Å²

Heavy Atom Count

Formal Charge

Complexity

629

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

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(1,3-Dimesitylimidazol-2-ylidene)nickel(0) Bis(di-tert-butyl Fumarate)

Product Information

Safety Information

Computed Properties

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