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116714-47-7

Basic Information
CAS No.: 116714-47-7
Name: 3-Chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzenamine
Article Data: 3
Molecular Structure:
Molecular Structure of 116714-47-7 (3-Chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzenamine)
Formula: C9H6ClF6NO2
Molecular Weight: 309.596
Synonyms: 3-Chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzenamine;
Density: 1.546 g/cm3
Boiling Point: 293.7 °C at 760 mmHg
Flash Point: 131.4 °C
Appearance: Kind of white to yellow powder
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
In chlorobenzene
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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