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Cas Database |
| Name |
(Trifluoromethoxy)benzene |
EINECS | 207-269-5 |
| CAS No. | 456-55-3 | Density | 1.248 g/cm3 |
| PSA | 9.23000 | LogP | 2.58520 |
| Solubility | N/A | Melting Point |
-50oC |
| Formula | C7H5F3O | Boiling Point | 102.8 °C at 760 mmHg |
| Molecular Weight | 162.111 | Flash Point | 12.2 °C |
| Transport Information | UN 1993 3/PG 2 | Appearance | Colorless to light yellow liquid |
| Safety | 16-26-36/37/39-9-33 | Risk Codes | 11-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 F,  Xi,  C
|
| Synonyms |
Anisole, a,a,a-trifluoro- (6CI,7CI,8CI);Phenyltrifluoromethyl ether;Trifluoromethyl phenyl ether;a,a,a-Trifluoroanisole; |
Article Data | 49 |
(Trifluoromethoxy)benzene Synthetic route
- 34888-05-6
(trichloromethoxy)benzene
- 456-55-3
1-trifluoromethoxybenzene
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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. |
| Conditions | Yield |
|---|---|
| at 42℃; for 3h; | A 78% B n/a |
| Conditions | Yield |
|---|---|
| at 42℃; for 3h; | A 76% B n/a |
| Conditions | Yield |
|---|---|
| With sodium hydroxide; hydrogen; palladium on activated charcoal In ethanol under 2068.6 Torr; for 5h; | 74.4% |
| Conditions | Yield |
|---|---|
| at 42℃; for 3h; | A 74% B n/a |
| Conditions | Yield |
|---|---|
| at 42℃; for 3h; | A 74% B n/a |
| Conditions | Yield |
|---|---|
| With hydrogen fluoride | A 31% B 69% |
- 63465-11-2
Bis-(trifluormethyl)-bis-(trifluormethoxy)-sulfuran
- 108-95-2
phenol
- 456-55-3
1-trifluoromethoxybenzene
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| at 80℃; for 1.5h; | 13% |
(Trifluoromethoxy)benzene Chemical Properties
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)
(Trifluoromethoxy)benzene Safety Profile
Safety Information of (Trifluoromethoxy)benzene (CAS NO.456-55-3):
Hazard Codes: F
,Xi
,C
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
(Trifluoromethoxy)benzene Specification
(Trifluoromethoxy)benzene , its CAS NO. is 456-55-3, the synonym is Benzene, (trifluoromethoxy)- .
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