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Cas Database |
| Name |
3-Chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzenamine |
EINECS | N/A |
| CAS No. | 116714-47-7 | Density | 1.546 g/cm3 |
| PSA | 44.48000 | LogP | 4.30700 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C9H6ClF6NO2 | Boiling Point | 293.7 °C at 760 mmHg |
| Molecular Weight | 309.596 | Flash Point | 131.4 °C |
| Transport Information | N/A | Appearance | Kind of white to yellow powder |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
3-Chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzenamine; |
Article Data | 3 |
3-Chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzenamine Synthetic route
- 1187-93-5
trifluoromethyl trifluorovinyl ether
- 3964-52-1
2-chloro 4-aminophenol
- 116714-47-7
3-chloro-4-[ 1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy] aniline
| Conditions | Yield |
|---|---|
| With potassium hydroxide In dimethyl sulfoxide; toluene at 0℃; for 3h; | 98% |
- 116543-13-6
perfluoro-vinyl-perfluoromethyl ether
- 3964-52-1
2-chloro 4-aminophenol
- 116714-47-7
3-chloro-4-[ 1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy] aniline
| Conditions | Yield |
|---|---|
| With dimethyl sulfoxide In water; toluene |
- 4461-34-1
2-chlorobenzoyl isocyanate
- 116714-47-7
3-chloro-4-[ 1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy] aniline
- 143920-61-0
1-(2-Chloro-benzoyl)-3-[3-chloro-4-(1,1,2-trifluoro-2-trifluoromethoxy-ethoxy)-phenyl]-urea
| Conditions | Yield |
|---|---|
| Heating; | 84% |
- 60731-73-9
2,6-difluorobenzoyl isocyanate
- 116714-47-7
3-chloro-4-[ 1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy] aniline
- 116714-46-6
1-[3-chloro-4-(1,1,2-trifluoro-2-trifluoromethoxyethoxy)phenyl]-3-(2,6-difluorobenzoyl)urea
| Conditions | Yield |
|---|---|
| Heating; | 82% |
- 60731-73-9
2,6-difluorobenzoyl isocyanate
- 116714-47-7
3-chloro-4-[ 1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy] aniline
A
- 614-22-2
1-benzoylurea
B
- 116714-46-6
1-[3-chloro-4-(1,1,2-trifluoro-2-trifluoromethoxyethoxy)phenyl]-3-(2,6-difluorobenzoyl)urea
| Conditions | Yield |
|---|---|
| In chlorobenzene |
3-Chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzenamine Specification
The CAS register number of 3-Chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzenamine is 116714-47-7. It also can be called as Benzenamine, 3-chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]- and the systematic name about this chemical is 3-chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]aniline. The molecular formula about this chemical is C9H6ClF6NO2 and the molecular weight is 309.59.
Physical properties about 3-Chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzenamine are: (1)ACD/LogP: 4.73; (2)ACD/LogD (pH 5.5): 4.73; (3)ACD/LogD (pH 7.4): 4.73; (4)ACD/BCF (pH 5.5): 2317.24; (5)ACD/BCF (pH 7.4): 2325.72; (6)ACD/KOC (pH 5.5): 8908.12; (7)ACD/KOC (pH 7.4): 8940.71; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 44.48Å2; (12)Index of Refraction: 1.451; (13)Molar Refractivity: 53.94 cm3; (14)Molar Volume: 200.2 cm3; (15)Polarizability: 21.38x10-24cm3; (16)Surface Tension: 30.2 dyne/cm; (17)Enthalpy of Vaporization: 53.33 kJ/mol; (18)Boiling Point: 293.7 °C at 760 mmHg; (19)Vapour Pressure: 0.0017 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(N)ccc1OC(F)(F)C(F)OC(F)(F)F
(2)InChI: InChI=1/C9H6ClF6NO2/c10-5-3-4(17)1-2-6(5)18-8(12,13)7(11)19-9(14,15)16/h1-3,7H,17H2
(3)InChIKey: DUQYSTOFYBWCDV-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C9H6ClF6NO2/c10-5-3-4(17)1-2-6(5)18-8(12,13)7(11)19-9(14,15)16/h1-3,7H,17H2
(5)Std. InChIKey: DUQYSTOFYBWCDV-UHFFFAOYSA-N
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