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CAS No.: | 220405-40-3 |
---|---|
Name: | 2,2-Difluoro-1,3-dimethylimidazolidine |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C5H10F2N2 |
Molecular Weight: | 136.145 |
Synonyms: | Imidazolidine,2,2-difluoro-1,3-dimethyl-;2,2-Difluoro-1,3-dimethyltetrahydroimidazole; |
Density: | 1.165 g/cm3 |
Boiling Point: | 67.107 °C at 760 mmHg |
Flash Point: | -5.613 °C |
Appearance: | Clear liquid |
Hazard Symbols: | F,C |
Risk Codes: | 10 |
Safety: | 16-26-36 |
Transport Information: | UN 1993 |
PSA: | 6.48000 |
LogP: | 0.28970 |
2,2-difluoro-1,3-dimethyl-imidazolidine
Conditions | Yield |
---|---|
With potassium fluoride In acetonitrile at 80℃; for 17h; | 77% |
2,2-difluoro-1,3-dimethyl-imidazolidine
Conditions | Yield |
---|---|
91% |
2-chloro-1,3-dimethylimidazolinium chloride
2,2-difluoro-1,3-dimethyl-imidazolidine
Conditions | Yield |
---|---|
With triethylamine tris(hydrogen fluoride); triethylamine In dichloromethane Product distribution / selectivity; | 91% |
With potassium fluoride In 1,3-dimethyl-2-imidazolidinone at 85℃; for 24h; | 81% |
With potassium fluoride In acetonitrile at 80 - 90℃; |
2,2-dichloro-1,3-dimethylimidazolidine
2,2-difluoro-1,3-dimethyl-imidazolidine
Conditions | Yield |
---|---|
With potassium fluoride In acetonitrile |
2-chloro-1,3-dimethylimidazolinium chloride
2,2-difluoro-1,3-dimethyl-imidazolidine
Conditions | Yield |
---|---|
With triethylamine tris(hydrogen fluoride); triethylamine In dichloromethane Product distribution / selectivity; | 91% |
With potassium fluoride In 1,3-dimethyl-2-imidazolidinone at 85℃; for 24h; | 81% |
With potassium fluoride In acetonitrile at 80 - 90℃; |
2,2-difluoro-1,3-dimethyl-imidazolidine
Conditions | Yield |
---|---|
91% |
2,2-difluoro-1,3-dimethyl-imidazolidine
Conditions | Yield |
---|---|
With potassium fluoride In acetonitrile at 80℃; for 17h; | 77% |
2,2-dichloro-1,3-dimethylimidazolidine
2,2-difluoro-1,3-dimethyl-imidazolidine
Conditions | Yield |
---|---|
With potassium fluoride In acetonitrile |
sodium triflate
2,2-difluoro-1,3-dimethyl-imidazolidine
2-fluoro-1,3-dimethylimidazolinium trifluoromethanesulfonate
Conditions | Yield |
---|---|
In acetonitrile at 20 - 30℃; for 3h; Product distribution / selectivity; | 100% |
In [D3]acetonitrile at 20 - 30℃; for 3h; Product distribution / selectivity; |
sodium hexyl sulfate
2,2-difluoro-1,3-dimethyl-imidazolidine
2-fluoro-1,3-dimethylimidazolinium hexanesulfonate
Conditions | Yield |
---|---|
In acetonitrile at 20 - 30℃; for 3h; Product distribution / selectivity; | 100% |
In [D3]acetonitrile at 20 - 30℃; for 3h; Product distribution / selectivity; |
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2,2-Difluoro-1,3-dimethylimidazolidine is an organic compound with the formula C5H10F2N2, and its systematic name is the same with the product name. With the CAS registry number 220405-40-3, it is also named as Imidazolidine,2,2-difluoro-1,3-dimethyl-. It belongs to the product categories of Aminetertiary; Halide; Fluorinating Reagents; Fluorinating Reagents & Building Blocks for Fluorinated Biochemical Compounds;Fluorination; Halogenation; Nucleophilic Fluorinating Reagents; Synthetic Organic Chemistry. In addition, the molecular weight is 136.14.
Physical properties of 2,2-Difluoro-1,3-dimethylimidazolidine are: (1)ACD/LogP: -1.423; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.42; (4)ACD/LogD (pH 7.4): -1.42; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 4.01; (8)ACD/KOC (pH 7.4): 4.01; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.446; (14)Molar Refractivity: 31.155 cm3; (15)Molar Volume: 116.85 cm3; (16)Polarizability: 12.351×10-24cm3; (17)Surface Tension: 27.6 dyne/cm; (18)Density: 1.165 g/cm3; (19)Flash Point: -5.613 °C; (20)Enthalpy of Vaporization: 30.896 kJ/mol; (21)Boiling Point: 67.107 °C at 760 mmHg; (22)Vapour Pressure: 147.55 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is flammable, so you should keep it away from sources of ignition - No smoking. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: FC1(F)N(C)CCN1C
(2)Std. InChI: InChI=1S/C5H10F2N2/c1-8-3-4-9(2)5(8,6)7/h3-4H2,1-2H3
(3)Std. InChIKey: MGDCBOKBTJIJBT-UHFFFAOYSA-N