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| CAS No.: | 504-75-6 |
|---|---|
| Name: | 4,5-dihydro-1H-imidazole |
| Article Data: | 39 |
| Molecular Structure: | |
|
|
|
| Formula: | C3H6 N2 |
| Molecular Weight: | 70.094 |
| Synonyms: | 2-Imidazoline(6CI,7CI,8CI); 4,5-Dihydroimidazole; Corban 210WS; Imidazoline; D2-Imidazoline |
| Density: | 1.15g/cm3 |
| Melting Point: | 55°C |
| Boiling Point: | 219.1°Cat760mmHg |
| Flash Point: | 86.3°C |
| Safety: | Poison by intraperitoneal route. When heated to decomposition it emits toxic fumes of NOx. |
| PSA: | 24.39000 |
| LogP: | -0.61770 |
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- 99170-93-1N-Methyl-2-oxazolamine
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- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
| Conditions | Yield |
|---|---|
| With 3,3-dimethyldioxirane In methanol; acetone at 25℃; | A 53% B 15% |
- 201230-82-2
carbon monoxide
- 107-15-3
ethylenediamine
A
- 504-75-6
2-imidazoline
B
- 120-93-4
imidazolidone
C
- 109-58-0
N-β-aminoethylcarbamic acid
| Conditions | Yield |
|---|---|
| With tetracarbonyl nickel In ethanol at 160℃; for 18h; | A 28% B 10.6% C 31.7% |
| With tetracarbonyl nickel In ethanol at 160℃; for 18h; | A 28% B 10.6% C 31.7% |
- 96-45-7
N,N'-ethylenethiourea
A
- 504-75-6
2-imidazoline
B
- 120-93-4
imidazolidone
C
- 64205-92-1
4,5-dihydro-1H-imidazole-2-sulfonic acid
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide; trifluoroacetic acid at 25℃; |
| Conditions | Yield |
|---|---|
| Stage #1: 2-imidazoline; N-butyl-2-iodobenzamide With caesium carbonate; L-proline In dimethyl sulfoxide for 0.333333h; Ullmann reaction; Inert atmosphere; Stage #2: With copper(l) iodide In dimethyl sulfoxide at 120℃; for 12h; Ullmann reaction; Inert atmosphere; | A 88% B n/a |
- 504-75-6
2-imidazoline
- 13939-06-5, 199620-15-0
molybdenum hexacarbonyl
- 64121-72-8
cis-tetracarbonylbis(2-imidazoline-N)molybdenum(0)
- 64121-75-1
fac-tricarbonyltris(2-imidazoline-N)molybdenum(0)
| Conditions | Yield |
|---|---|
| In toluene byproducts: CO; N2-atmosphere; 3 equiv. of imidazoline, 100°C, 10 min (pptn.); filtration, washing (Et2O), drying (vac.); elem. anal.; bis(imidazoline)-complex from filtrate; | A 20% B 75% |
- 504-75-6
2-imidazoline
- 177662-53-2
2-methyl-5-[4-hydroxy-1-[4-(methylsulfonyl)phenyl]-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-2-yl]pyridine
- 177660-80-9
2-methyl-5-[1-[4-(methylsulfonyl)phenyl]-4-trifluoromethyl-1H-imidazol-2-yl]pyridine
| Conditions | Yield |
|---|---|
| With p-toluenesulfonic acid monohydrate In ethyl acetate; acetone; toluene | 66% |
| Conditions | Yield |
|---|---|
| In toluene for 48h; Heating; | 62% |
- 504-75-6
2-imidazoline
- 12092-47-6
di-μ-chloro-bis(1,5-cyclooctadiene)dirhodium
- 67012-40-2
chloro(cyclo-octa-1,5-diene)(2-imidazoline-N)rhodium(I)
| Conditions | Yield |
|---|---|
| In toluene N2-atmosphere; stoich. amts., refluxing for 1 h; crystn. (-20°C), addn. of hexane, collection (filtration), washing (Et2O), drying (vac.); elem. anal.; | 55% |
- 504-75-6
2-imidazoline
- 177662-51-0
4-[4-hydroxy-1-[4-(methylsulfonyl) phenyl]-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-2-yl]pyridine
- 177660-79-6
4-[1-[4-(methylsulfonyl)phenyl]-4-(trifluoromethyl)-1H-imidazol-2-yl]pyridine
| Conditions | Yield |
|---|---|
| With p-toluenesulfonic acid monohydrate In ethyl acetate; acetone; toluene | 41% |
- Total:19 Page 1 of 1 1
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Chemistry
IUPAC: 4,5-Dihydro-1H-imidazole
Imidazoline with CAS NO. of 504-75-6 is also called for 2-Imidazoline ; 4,5-Dihydro-1H-imidazole ; 1H-Imidazole, 4,5-dihydro- ; CHEBI:53094 ; CID68156 ; EINECS 207-999-4 ; 504-75-6 and so on.
Molecular Weight: 70.09
Molecular Formula: C3H6N2
ACD/LogP: -1.08
ACD/LogD (pH 5.5): -3.08
ACD/LogD (pH 7.4): -3.07
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 1
ACD/KOC (pH 7.4): 1
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 0
Heavy Atom Count: 5
Formal Charge: 0
Complexity: 48.9
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: 1
Index of Refraction: 1.568
Molar Refractivity: 19.92 cm3
Molar Volume: 60.8 cm3
Surface Tension: 41.8 dyne/cm
Density: 1.15 g/cm3
Flash Point: 86.3°C
Enthalpy of Vaporization: 45.55 kJ/mol
Boiling Point: 219.1°C at 760 mmHg
Vapour Pressure: 0.122 mmHg at 25°C
The molecular structure of Imidazoline with CAS NO. of 504-75-6 :
Uses
Imidazoline (CAS NO.504-75-6) is found in the commercially available second generation Grubbs' catalyst.
Toxicity Data With Reference
| 1. | ipr-mus LD50:50 mg/kg | AMRL** Aerospace Medical Research Laboratory Report.(Aerospace Technical Div., Air Force Systems Command, Wright-Patterson Air Force Base, OH 45433) |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Poison by intraperitoneal route. When heated to decomposition it emits toxic fumes of NOx.
Specification
1.Removal in wastewater treatment of Imidazoline (CAS NO.504-75-6):
Total removal:1.87 percent
Total biodegradation:0.09 percent
Total sludge adsorption:1.76 percent
Total to air:0.03 percent
(using 10000 hr Bio P,A,S)
2. Imidazoline (CAS NO.504-75-6) is a nitrogen-containing heterocycle which is derived from imidazole.The ring contains an imine bond, and the carbons at the 4 and 5 positions are singly bonded, rather than doubly bonded for the case of imidazole.