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4-(Trifluoromethoxy)Anisole

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Name

4-(Trifluoromethoxy)Anisole

EINECS -0
CAS No. 710-18-9 Density 1.249 g/cm3
PSA 18.46000 LogP 2.59380
Solubility N/A Melting Point N/A
Formula C8H7F3O2 Boiling Point 164.2 ºC at 760 mmHg
Molecular Weight 192.138 Flash Point 59.2 ºC
Transport Information UN 1993 Appearance Clear faintly yellow liquid
Safety 23-26-37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 710-18-9 (4-(Trifluoromethoxy)anisole) Hazard Symbols IrritantXi;HarmfulXn;FlammableF
Synonyms

1-Methoxy-4-(trifluoromethoxy)benzene;4-(Trifluoromethoxy)anisole;

Article Data 4

4-(Trifluoromethoxy)Anisole Specification

The 4-(Trifluoromethoxy)Anisole, with its CAS registry number 710-18-9, has the IUPAC name of 1-methoxy-4-(trifluoromethoxy)benzene. For being a kind of clear faintly yellow liquid, it has the product categories which are including Anisole; Anisoles, Alkyloxy Compounds & Phenylacetates; Fluorine Compounds; Ethers; Organic Building Blocks; Oxygen Compounds; Trifluoro-methoxy-benzene series.

The physical properties of this chemical are as below: (1)ACD/LogP: 3.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.13; (4)ACD/LogD (pH 7.4): 3.13; (5)ACD/BCF (pH 5.5): 141.95; (6)ACD/BCF (pH 7.4): 141.95; (7)ACD/KOC (pH 5.5): 1208.12; (8)ACD/KOC (pH 7.4): 1208.12; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 18.46; (13)Index of Refraction: 1.434; (14)Molar Refractivity: 40.06 cm3; (15)Molar Volume: 153.8 cm3; (16)Polarizability: 15.88×10-24 cm3; (17)Surface Tension: 25 dyne/cm; (18)Density: 1.249 g/cm3; (19)Flash Point: 59.2 °C; (20)Enthalpy of Vaporization: 38.42 kJ/mol; (21)Boiling Point: 164.2 °C at 760 mmHg; (22)Vapour Pressure: 2.61 mmHg at 25°C; (23)Exact Mass: 192.039814; (24)MonoIsotopic Mass: 192.039814; (25)Topological Polar Surface Area: 18.5; (26)Heavy Atom Count: 13; (27)Complexity: 150.

When you are dealing with this chemical, you should be very careful. For one thing, it is irritant which may cause inflammation to the skin or other mucous membranes. And it is irritating to eyes, respiratory system and skin. For another thing, it is harmful which may cause damage to health. And it will be dangerous if by inhalation, in contact with skin and if swallowed. In addition, it is highly flammable which may catch fire in contact with air, only needing brief contact with an ignition source, and it has a very low flash point or evolve highly flammable gases in contact with water. 

Therefore, you should wear suitable gloves and eye/face protection. If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice and do remember not to breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer).

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: COC1=CC=C(C=C1)OC(F)(F)F
(2)InChI: InChI=1S/C8H7F3O2/c1-12-6-2-4-7(5-3-6)13-8(9,10)11/h2-5H,1H3
(3)InChIKey: NOAFZIOGGDPYKK-UHFFFAOYSA-N 

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