CAS No.456-55-3,(Trifluoromethoxy)benzene Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	456-55-3
Name:	(Trifluoromethoxy)benzene
Article Data:	49

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:	F, Xi, C
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

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

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.

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

: 108-95-2
phenol

A: 132-64-9
dibenzofuran

B: 456-55-3
1-trifluoromethoxybenzene

Conditions

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

...Expand

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

: 108-95-2
phenol

A: 132-64-9
dibenzofuran

B: 456-55-3
1-trifluoromethoxybenzene

Conditions

Conditions	Yield
at 42℃; for 3h;	A 76% B n/a

...Expand

: 461-81-4
1-chloro-4-(trifluoromethoxy)benzene

: 456-55-3
1-trifluoromethoxybenzene

Conditions

Conditions	Yield
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

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

...Expand

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

: 108-95-2
phenol

A: 132-64-9
dibenzofuran

B: 456-55-3
1-trifluoromethoxybenzene

Conditions

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

...Expand

: 56-23-5
tetrachloromethane

: 108-95-2
phenol

A: 456-55-3
1-trifluoromethoxybenzene

B: 603-45-2
aurin

Conditions

Conditions	Yield
With hydrogen fluoride	A 31% B 69%

...Expand

: 63465-11-2
Bis-(trifluormethyl)-bis-(trifluormethoxy)-sulfuran

: 108-95-2
phenol

: 456-55-3
1-trifluoromethoxybenzene

Conditions

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

Conditions	Yield
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: F,Xi Irritant ,C Corrosive
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)- .