3-Chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzenamine supplier

Name
3-Chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzenamine
EINECS
CAS No. 116714-47-7
Article Data3
CAS DataBase
Density 1.546 g/cm³
Solubility
Melting Point
Formula C₉H₆ClF₆NO₂
Boiling Point 293.7 °C at 760 mmHg
Molecular Weight 309.596
Flash Point 131.4 °C
Transport Information
Appearance Kind of white to yellow powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzenamine;
PSA 44.48000
LogP 4.30700

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

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

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

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

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

Conditions	Yield
In chlorobenzene

...Expand

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 C₉H₆ClF₆NO₂and 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

Product Name

3-Chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzenamine

Synthetic route

3-Chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzenamine Specification

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