CAS No.250285-32-6,1,3-Bis(2,6-diisopropylphenyl)imidazolium chloride Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	250285-32-6
Name:	1,3-Bis(2,6-diisopropylphenyl)imidazolium chloride
Article Data:	50

Formula:	C₂₇H₃₇ClN₂
Molecular Weight:	425.057
Synonyms:	1H-Imidazolium,1,3-bis[2,6-bis(1-methylethyl)phenyl]-, chloride (9CI);1,3-Bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-imidazol-2-ylidenemonohydrochloride;1,3-Bis(2,6-diisopropylphenyl)-1H-imidazolium chloride;1,3-Bis[2,6-bis(1-methylethyl)phenyl]-1H-imidazolium chloride;1,3-(2,6-Diisopropylphenyl)imidazolium Chloride;
EINECS:	627-434-9
Melting Point:	278 °C (dec.)(lit.)
Solubility:	Slightly soluble in water.
Appearance:	White, off-white or tan powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	8.81000
LogP:	4.25160

Synthetic route

: 1207373-09-8
C34H50Cl2N4Pd

: 250285-32-6
1,3-bis[2,6-diisopropylphenyl]imidazolium chloride

Conditions

Conditions	Yield
With trifluoroacetic acid In chloroform-d1 at 20℃; for 12h; Inert atmosphere;	100%

: 50-00-0
formaldehyd

: 74663-75-5
1,2-bis(2,6-diisopropylphenylimino)ethane

: 250285-32-6
1,3-bis[2,6-diisopropylphenyl]imidazolium chloride

Conditions

Conditions	Yield
With chloro-trimethyl-silane In ethyl acetate at 70℃; for 2h;	97%
With chloro-trimethyl-silane In ethyl acetate at 70℃; for 2h; Inert atmosphere; Glovebox;	87%
With chloro-trimethyl-silane In ethyl acetate at 70℃; for 2.75h; Inert atmosphere;	86%

: 74663-75-5
1,2-bis(2,6-diisopropylphenylimino)ethane

: 3188-13-4
ethyl chloromethyl ether

: 250285-32-6
1,3-bis[2,6-diisopropylphenyl]imidazolium chloride

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; for 24h; Molecular sieve; Inert atmosphere;	94%
With air In tetrahydrofuran; water at 40℃; for 16h; Solvent;	65%
With water In tetrahydrofuran at 40℃; for 16h; Condensation;	47%

: 50-00-0
formaldehyd

: 74663-75-5
(1E,2E)-N1,N2-bis(2,6-diisopropylphenyl)-ethane-1,2-diimine

: 250285-32-6
1,3-bis[2,6-diisopropylphenyl]imidazolium chloride

Conditions

Conditions	Yield
With chloro-trimethyl-silane In ethyl acetate at 70℃; for 2h;	90%
With chloro-trimethyl-silane In ethyl acetate at 70℃; for 2h;	89%
With hydrogenchloride In 1,4-dioxane; ethyl acetate at 20℃; for 17h;	86%
Stage #1: formaldehyd; (1E,2E)-N1,N2-bis(2,6-diisopropylphenyl)-ethane-1,2-diimine In toluene at 100℃; Formylation; Stage #2: With hydrogenchloride In 1,4-dioxane; toluene at 70℃; for 5h; chloridation;	47%
With hydrogenchloride In 1,4-dioxane; ethyl acetate at 20℃; Heating;	41%

: 50-00-0
formaldehyd

: 131543-46-9
Glyoxal

: 24544-04-5
2,6-diisopropylbenzenamine

: 250285-32-6
1,3-bis[2,6-diisopropylphenyl]imidazolium chloride

Conditions

Conditions	Yield
With hydrogenchloride In methanol for 36h; Reflux;	84.6%

...Expand

: 578743-87-0
chloro[1,3-bis(2,6-di-i-propylphenyl)imidazol-2-ylidene]copper(I)

A: 1060651-05-9
1,3-bis[2,6-di(propan-2-yl)phenyl]-1,3-dihydro-2H-imidazol-2-one

B: 250285-32-6
1,3-bis[2,6-diisopropylphenyl]imidazolium chloride

Conditions

Conditions	Yield
With air In dimethylsulfoxide-d6 at 150℃; for 155h;	A 16% B 81%
With water; oxygen In dimethylsulfoxide-d6 at 150℃; for 155h; Kinetics; Sealed tube;	A 16 %Spectr. B 81 %Spectr.

: 67-56-1
methanol

: 74663-75-5
1,2-bis(2,6-diisopropylphenylimino)ethane

: 250285-32-6
1,3-bis[2,6-diisopropylphenyl]imidazolium chloride

Conditions

Conditions	Yield
Stage #1: methanol; 1,2-bis(2,6-diisopropylphenylimino)ethane With sodium tetrahydroborate In tetrahydrofuran at 0 - 20℃; for 3h; Stage #2: With ammonium chloride In tetrahydrofuran	80%

: 244187-81-3
1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene

A: SiCl2*NHC

B: 250285-32-6
1,3-bis[2,6-diisopropylphenyl]imidazolium chloride

Conditions

Conditions	Yield
With trichlorosilane In toluene at 25℃; for 12h; Inert atmosphere;	A 79% B n/a

: 74663-75-5
1,2-bis(2,6-diisopropylphenylimino)ethane

: 123-63-7
paracetaldehyde

: 250285-32-6
1,3-bis[2,6-diisopropylphenyl]imidazolium chloride

Conditions

Conditions	Yield
With chloro-trimethyl-silane In ethyl acetate at 70℃; for 2.75h;	76%

: 50-00-0
formaldehyd

: 1,4-bis(2,6-diisopropylphenyl)-2,3-dimethyl-1,4-diazabuta-1,3-diene

: 250285-32-6
1,3-bis[2,6-diisopropylphenyl]imidazolium chloride

Conditions

Conditions	Yield
With hydrogenchloride In tetrahydrofuran; 1,4-dioxane at 40℃; for 72h;	58%

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Chemistry

IUPAC Name: 1,3-bis[2,6-Di(propan-2-yl)phenyl]imidazol-1-ium
Following is the structure of 1H-Imidazolium,1,3-bis[2,6-bis(1-methylethyl)phenyl]-, chloride (1:1) (CAS NO.250285-32-6):

Empirical Formula: C₂₇H₃₇ClN₂
Molecular Weight: 425.0491 g/mol
Sensitive: Hygroscopic
Melting point: 278 °C (dec.)(lit.)
Appearance of 1H-Imidazolium,1,3-bis[2,6-bis(1-methylethyl)phenyl]-, chloride (1:1) (CAS NO.250285-32-6): White, off-white or tan powder
Product Categories of 1H-Imidazolium,1,3-bis[2,6-bis(1-methylethyl)phenyl]-, chloride (1:1) (CAS NO.250285-32-6): Imidazolium Compounds; Ligands; N-Heterocyclic Carbene Ligands; Synthetic Organic Chemistry; Catalysis and Inorganic Chemistry; Chemical Synthesis; NHC Compounds
Canonical SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)N2C=C[N+](=C2)C3=C(C=CC=C3C(C)C)C(C)C
InChI: InChI=1S/C27H37N2/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8/h9-21H,1-8H3/q+1
InChIKey: VEUHZFXQNDHKGQ-UHFFFAOYSA-N

Toxicity Data With Reference

1H-Imidazolium,1,3-bis[2,6-bis(1-methylethyl)phenyl]-, chloride (1:1) (CAS NO.250285-32-6)hasn't been listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65. And the toxicological properties have not been fully investigated.

Safety Profile

Hazard Codes: Irritant Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 3

Specification

1H-Imidazolium,1,3-bis[2,6-bis(1-methylethyl)phenyl]-, chloride (1:1) , its cas register number is 250285-32-6. It also can be called 1,3-Bis(2,6-diisopropylphenyl)imidazolium chloride .
1H-Imidazolium,1,3-bis[2,6-bis(1-methylethyl)phenyl]-, chloride (1:1) (CAS NO.250285-32-6) is hazardous, so the first aid measures and others should be known. Such as: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. While, it's inhaled: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Then you have the ingesting of the product : Wash mouth out with water, and get medical aid immediately.
1H-Imidazolium,1,3-bis[2,6-bis(1-methylethyl)phenyl]-, chloride (1:1) (CAS NO.250285-32-6) should avoid the condition like incompatible materials. It is not compatible with strong oxidizing agents. And also prevent it to broken down into hazardous decomposition products: hydrogen chloride, nitrogen oxides, carbon monoxide, carbon dioxide. However, its hazardous polymerization has not been reported. In addition, it should be stored in a cool, dry place, or stored in a tightly closed container.