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Product No: BI6251

1,3-bis(2,4,6-trimethylphenyl)-3H-1lambda5-imidazol-1-ylium chloride, 95%

Name: 1,3-bis(2,4,6-trimethylphenyl)-3H-1lambda5-imidazol-1-ylium chloride
Brand: Chempure

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CAS Number

141556-45-8

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IUPAC name	1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium;chloride
canonical smiles	CC1=CC(=C(C(=C1)C)N2C=C[N+](=C2)C3=C(C=C(C=C3C)C)C)C.[Cl-]
inchi	InChI=1S/C21H25N2.ClH/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)6;/h7-13H,1-6H3;1H/q+1;/p-1
inchi key	OTOSIXGMLYKKOW-UHFFFAOYSA-M
molecular formula	C21H25ClN2
synonyms	141556-45-8 1,3-Bis(2,4,6-trimethylphenyl)imidazolium chloride 1,3-Dimesityl-1H-imidazol-3-ium chloride 1,3-Dimesitylimidazolium Chloride MFCD02684541

Computed Properties

Molecular Weight:	340.9 g/mol
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	1
Rotatable Bond Count:	2
Exact Mass:	340.1706265 g/mol
Monoisotopic Mass:	340.1706265 g/mol
Topological Polar Surface Area:	8.8 Å²
Heavy Atom Count:	24
Formal Charge:	0
Complexity:	335
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

Related Compounds

1-(4-Phenylphenyl)imidazole

1H-Imidazole, 1-(2-(1-methylethyl)phenyl)-

1-(2,6-Diisopropylphenyl)imidazole

1,3-Bis(2,4,6-trimethylphenyl)imidazolium chloride

1,3-Bis(2,6-diisopropylphenyl)imidazolium chloride

1-Cycloheptyl-1-[(4-imidazol-1-ylphenyl)methyl]-3-(2,4,6-trimethylphenyl)urea

1-Methyl-3-[4-[4-(3-methylimidazol-3-ium-1-yl)phenyl]phenyl]imidazol-1-ium;diiodide

US9725436, Entry 13

1,3-Bis(2,6-diisopropylphenyl)-2-fluoroimidazolium Tetrafluoroborate

1,3-Bis(2,6-diisopropylphenyl)-2-fluoro-1H-imidazol-3-ium

2-Chloro-1,3-bis(2,6-diisopropylphenyl)-1H-imidazol-3-ium chloride

1,3-Bis(2,6-di(pentan-3-yl)phenyl)-1H-imidazol-3-ium chloride

1-o-Tolyl-1H-imidazole

1,3-Bis(2,4,6-trimethylphenyl)imidazol-1-ium

1-(p-tolyl)-1H-imidazole

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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About this item

Documentation

Certificate of Analysis

Lot Number

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CAS #

*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium;chloride
canonical smiles	CC1=CC(=C(C(=C1)C)N2C=C[N+](=C2)C3=C(C=C(C=C3C)C)C)C.[Cl-]
inchi	InChI=1S/C21H25N2.ClH/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)6;/h7-13H,1-6H3;1H/q+1;/p-1
inchi key	OTOSIXGMLYKKOW-UHFFFAOYSA-M
molecular formula	C21H25ClN2
synonyms	141556-45-8 1,3-Bis(2,4,6-trimethylphenyl)imidazolium chloride 1,3-Dimesityl-1H-imidazol-3-ium chloride 1,3-Dimesitylimidazolium Chloride MFCD02684541

Computed Properties

Molecular Weight:	340.9 g/mol
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	1
Rotatable Bond Count:	2
Exact Mass:	340.1706265 g/mol
Monoisotopic Mass:	340.1706265 g/mol
Topological Polar Surface Area:	8.8 Å²
Heavy Atom Count:	24
Formal Charge:	0
Complexity:	335
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

Related Compounds

1-(4-Phenylphenyl)imidazole

1H-Imidazole, 1-(2-(1-methylethyl)phenyl)-

1-(2,6-Diisopropylphenyl)imidazole

1,3-Bis(2,4,6-trimethylphenyl)imidazolium chloride

1,3-Bis(2,6-diisopropylphenyl)imidazolium chloride

1-Cycloheptyl-1-[(4-imidazol-1-ylphenyl)methyl]-3-(2,4,6-trimethylphenyl)urea

1-Methyl-3-[4-[4-(3-methylimidazol-3-ium-1-yl)phenyl]phenyl]imidazol-1-ium;diiodide

US9725436, Entry 13

1,3-Bis(2,6-diisopropylphenyl)-2-fluoroimidazolium Tetrafluoroborate

1,3-Bis(2,6-diisopropylphenyl)-2-fluoro-1H-imidazol-3-ium

2-Chloro-1,3-bis(2,6-diisopropylphenyl)-1H-imidazol-3-ium chloride

1,3-Bis(2,6-di(pentan-3-yl)phenyl)-1H-imidazol-3-ium chloride

1-o-Tolyl-1H-imidazole

1,3-Bis(2,4,6-trimethylphenyl)imidazol-1-ium

1-(p-tolyl)-1H-imidazole

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Product No: BI6251

1,3-bis(2,4,6-trimethylphenyl)-3H-1lambda5-imidazol-1-ylium chloride, 95%

Product No: BI6251

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: BI6251

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?