Basic information
- Name:
(Trifluoromethoxy)benzene
- CAS No.:
456-55-3
- Molecular Structure:
- Formula:
- C7H5F3O
- Molecular Weight:
- 162.11
- 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
- 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 Description:
- 16-26-36/37/39-9-33 Details
- Transport Information:
- UN 1993 3/PG 2
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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
,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
Specification
(Trifluoromethoxy)benzene , its CAS NO. is 456-55-3, the synonym is Benzene, (trifluoromethoxy)- .
