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456-55-3

Basic Information
CAS No.: 456-55-3
Name: (Trifluoromethoxy)benzene
Article Data: 49
Molecular Structure:
Molecular Structure of 456-55-3 ((Trifluoromethoxy)benzene)
Formula: C7H5F3O
Molecular Weight: 162.111
Synonyms: Anisole, a,a,a-trifluoro- (6CI,7CI,8CI);Phenyltrifluoromethyl ether;Trifluoromethyl phenyl ether;a,a,a-Trifluoroanisole;
EINECS: 207-269-5
Density: 1.248 g/cm3
Melting Point: -50oC
Boiling Point: 102.8 °C at 760 mmHg
Flash Point: 12.2 °C
Appearance: Colorless to light yellow liquid
Hazard Symbols: FlammableF, IrritantXi, CorrosiveC
Risk Codes: 11-36/37/38
Safety: 16-26-36/37/39-9-33
Transport Information: UN 1993 3/PG 2
PSA: 9.23000
LogP: 2.58520
Synthetic route
34888-05-6

(trichloromethoxy)benzene

456-55-3

1-trifluoromethoxybenzene

Conditions
ConditionsYield
With hydrogen fluoride at 95℃; under 21002.1 Torr; Temperature; Pressure; Autoclave;95.46%
90%
With antimonypentachloride; antimony(III) fluoride
24210-45-5

α,α-difluorophenoxyacetic acid

456-55-3

1-trifluoromethoxybenzene

Conditions
ConditionsYield
With tetrafluoroboric acid; selectfluor II; silver nitrate In dichloromethane; water at 80℃; for 12h; Reagent/catalyst; Inert atmosphere;84%
With xenon difluoride In chloroform-d1 at 23℃; for 0.0833333h; Inert atmosphere; Sealed tube;39%
With phosphoric acid; silver trifluoromethanesulfonate; Selectfluor In dichloromethane; water at 55℃; for 1h; Catalytic behavior; Reagent/catalyst; Temperature; Solvent; Inert atmosphere; Glovebox;90 %Spectr.

2-(trifluoromethoxy)biphenylyl-2'-diazonium hexafluoroantimonate

108-95-2

phenol

A

132-64-9

dibenzofuran

B

456-55-3

1-trifluoromethoxybenzene

Conditions
ConditionsYield
at 42℃; for 3h;A 78%
B n/a

2-(trifluoromethoxy)biphenylyl-2'-diazonium tetrafluoroborate

108-95-2

phenol

A

132-64-9

dibenzofuran

B

456-55-3

1-trifluoromethoxybenzene

Conditions
ConditionsYield
at 42℃; for 3h;A 76%
B n/a
461-81-4

1-chloro-4-(trifluoromethoxy)benzene

456-55-3

1-trifluoromethoxybenzene

Conditions
ConditionsYield
With sodium hydroxide; hydrogen; palladium on activated charcoal In ethanol under 2068.6 Torr; for 5h;74.4%

2-(trifluoromethoxy)biphenylyl-2'-diazonium hexafluorophosphate

108-95-2

phenol

A

132-64-9

dibenzofuran

B

456-55-3

1-trifluoromethoxybenzene

Conditions
ConditionsYield
at 42℃; for 3h;A 74%
B n/a

2-(trifluoromethoxy)biphenylyl-2'-diazonium triflate

108-95-2

phenol

A

132-64-9

dibenzofuran

B

456-55-3

1-trifluoromethoxybenzene

Conditions
ConditionsYield
at 42℃; for 3h;A 74%
B n/a
56-23-5

tetrachloromethane

108-95-2

phenol

A

456-55-3

1-trifluoromethoxybenzene

B

603-45-2

aurin

Conditions
ConditionsYield
With hydrogen fluorideA 31%
B 69%
63465-11-2

Bis-(trifluormethyl)-bis-(trifluormethoxy)-sulfuran

108-95-2

phenol

456-55-3

1-trifluoromethoxybenzene

Conditions
ConditionsYield
In diethyl ether 25°C, 0.5 h;53%
129922-37-8

S-(trifluoromethyl)-3,7-dinitrodibenzothiophenium trifluoromethanesulfonate

108-95-2

phenol

456-55-3

1-trifluoromethoxybenzene

Conditions
ConditionsYield
at 80℃; for 1.5h;13%
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Chemistry

Product Name: (Trifluoromethoxy)benzene (CAS NO.456-55-3)

Molecular Formula: C7H5F3O
Molecular Weight: 162.11g/mol
Mol File: 456-55-3.mol
EINECS: 207-269-5
Appearance: Colorless to light yellow liquid
Boiling point: 102.8 °C at 760 mmHg
Storage Temperature: Flammables area
Flash Point: 12.2 °C
Density: 1.248 g/cm3
Refractive index: n20/D 1.406(lit.)
Index of Refraction: 1.427 
Molar Refractivity: 33.38 cm3 
Molar Volume: 129.8 cm3 
Surface Tension: 24 dyne/cm
Enthalpy of Vaporization: 32.78 kJ/mol
Vapour Pressure: 38.3 mmHg at 25°C
XLogP3-AA: 3.2
H-Bond Donor: 0
H-Bond Acceptor: 4
Structure Descriptors of (Trifluoromethoxy)benzene (CAS NO.456-55-3):
  IUPAC Name: trifluoromethoxybenzene
  Canonical SMILES: C1=CC=C(C=C1)OC(F)(F)F
  InChI: InChI=1S/C7H5F3O/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5H 
  InChIKey: GQHWSLKNULCZGI-UHFFFAOYSA-N
Product Categories: Trifluoromethoxybenzene Series; Aromatic Halides (substituted)

Safety Profile

Safety Information of (Trifluoromethoxy)benzene (CAS NO.456-55-3):
Hazard Codes: FFlammable,XiIrritant,CCorrosive
Risk Statements: 11-36/37/38  
R11:Highly flammable. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 16-26-36/37/39-9-33 
S16:Keep away from sources of ignition. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S9:Keep container in a well-ventilated place. 
S33:Take precautionary measures against static discharges.
RIDADR: UN 1993 3/PG 2
WGK Germany: 3
Hazard Note: Flammable/Corrosive
TSCA: T
HazardClass: 3
PackingGroup: II

Specification

 (Trifluoromethoxy)benzene , its CAS NO. is 456-55-3, the synonym is Benzene, (trifluoromethoxy)- .