1,3-Bis[2,6-bis(1-ethylpropyl)phenyl]imidazolium chloride - 98%, high purity , CAS No.1157867-61-2

In stock

Item Number

B281478

Grouped product items
SKU	Size	Availability	Price
B281478-100mg	100mg	2	$69.90
B281478-500mg	500mg	1	$219.90
B281478-1g	1g	1	$342.90

Ligands & Chiral Ligands

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Basic Description

Synonyms	MFCD27978383 \| 1,3-bis[2,6-di(pentan-3-yl)phenyl]imidazol-1-ium;chloride \| EN300-7481966 \| C35H53ClN2 \| F11584 \| 1,3-Bis(2,6-di(pentan-3-yl)phenyl)-1H-imidazol-3-ium chloride \| SCHEMBL17329311 \| Z3244827496 \| IPent-HCl
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice
Product Description	Application： 1,3-Bis(2,6-di(3-pentyl)phenyl)imidazolium chloride is an NHC ligand used in a variety of Pd catalyzed cross-coupling reactions.

Names and Identifiers

Pubchem Sid	488202566
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488202566
IUPAC Name	1,3-bis[2,6-di(pentan-3-yl)phenyl]imidazol-1-ium;chloride
INCHI	InChI=1S/C35H53N2.ClH/c1-9-26(10-2)30-19-17-20-31(27(11-3)12-4)34(30)36-23-24-37(25-36)35-32(28(13-5)14-6)21-18-22-33(35)29(15-7)16-8;/h17-29H,9-16H2,1-8H3;1H/q+1;/p-1
InChi Key	ODQOSTRWDUNLQB-UHFFFAOYSA-M
Canonical SMILES	CCC(CC)C1=C(C(=CC=C1)C(CC)CC)N2C=C[N+](=C2)C3=C(C=CC=C3C(CC)CC)C(CC)CC.[Cl-]
Isomeric SMILES	CCC(CC)C1=C(C(=CC=C1)C(CC)CC)N2C=C[N+](=C2)C3=C(C=CC=C3C(CC)CC)C(CC)CC.[Cl-]
Molecular Weight	537.26
Reaxy-Rn	23039784
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23039784&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
D2326732	Certificate of Analysis	Mar 30, 2023	B281478
D2326746	Certificate of Analysis	Mar 30, 2023	B281478
D2326751	Certificate of Analysis	Mar 30, 2023	B281478
D2326745	Certificate of Analysis	Mar 30, 2023	B281478
D2326813	Certificate of Analysis	Mar 30, 2023	B281478
D2326737	Certificate of Analysis	Mar 30, 2023	B281478
D2326741	Certificate of Analysis	Mar 30, 2023	B281478
D2326744	Certificate of Analysis	Mar 30, 2023	B281478

Chemical and Physical Properties

Melt Point(°C)	362-364 °C
Molecular Weight	537.300 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	14
Exact Mass	536.39 Da
Monoisotopic Mass	536.39 Da
Topological Polar Surface Area	8.800 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	510.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2

Safety and Hazards(GHS)

Pictogram(s)	GHS07
Signal	Warning
Hazard Statements	H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation
Precautionary Statements	P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P271:Use only outdoors or in a well-ventilated area. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P362+P364:Take off contaminated clothing and wash it before reuse. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P337+P317:If eye irritation persists: Get medical help. P332+P317:If skin irritation occurs: Get medical help. P319:Get medical help if you feel unwell.
Reaxy-Rn	23039784
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23039784&ln=

Purity(HPLC area)

98-100（%）

Proton NMR spectrum

Conforms to Structure

LC-MS for identification

Conforms

Solution Calculators

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Basic Description