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Benzene,1,2,3,4,5-pentafluoro-6-methoxy-

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Name

Benzene,1,2,3,4,5-pentafluoro-6-methoxy-

EINECS 206-866-8
CAS No. 389-40-2 Density 1.472 g/cm3
PSA 9.23000 LogP 2.39070
Solubility N/A Melting Point -38--37°C
Formula C7H3F5O Boiling Point 139.1 °C at 760 mmHg
Molecular Weight 198.092 Flash Point 32.2 °C
Transport Information UN 1993 Appearance Clear colourless liquid
Safety 16-29-33 Risk Codes 10
Molecular Structure Molecular Structure of 389-40-2 (2,3,4,5,6-PENTAFLUOROANISOLE) Hazard Symbols FlammableF
Synonyms

Methyl pentafluorophenyl ether;1,2,3,4,5-Pentafluoro-6-methoxy-benzene;2,3,4,5,6-Pentafluoroanisole;

Article Data 14

Benzene,1,2,3,4,5-pentafluoro-6-methoxy- Specification

The Benzene,1,2,3,4,5-pentafluoro-6-methoxy-, with the CAS registry number 389-40-2, is also known as Methyl pentafluorophenyl ether. It belongs to the product categories of Ethers; Organic Building Blocks; Oxygen Compounds. Its EINECS number is 206-866-8. This chemical's molecular formula is C7H3F5O and molecular weight is 198.09. What's more, its IUPAC name is 1,2,3,4,5-pentafluoro-6-methoxybenzene.

Physical properties of Benzene,1,2,3,4,5-pentafluoro-6-methoxy- are: (1)ACD/LogP: 2.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.39; (4)ACD/LogD (pH 7.4): 2.39 ; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: Å2; (9)Index of Refraction: 1.404; (10)Molar Refractivity: 32.9 cm3; (11)Molar Volume: 134.4 cm3; (12)Polarizability: 13.04×10-24cm3; (13)Surface Tension: 24.6 dyne/cm; (14)Density: 1.472 g/cm3; (15)Flash Point: 32.2 °C; (16)Enthalpy of Vaporization: 36.09 kJ/mol; (17)Boiling Point: 139.1 °C at 760 mmHg; (18)Vapour Pressure: 8.11 mmHg at 25°C.

Uses of Benzene,1,2,3,4,5-pentafluoro-6-methoxy-: it can be used to produce 7-tert-butyl-1,2,3,5,6-pentafluoro-4-methoxy-8-phenyl-bicyclo[4.2.0]octa-2,4,7-triene by irradiation. It will need solvent cyclohexane with the reaction time of 70 hours. The yield is about 20.1%.

Benzene,1,2,3,4,5-pentafluoro-6-methoxy- can be used to produce 7-tert-butyl-1,2,3,5,6-pentafluoro-4-methoxy-8-phenyl-bicyclo[4.2.0]octa-2,4,7-triene by irradiation

When you are using this chemical, please be cautious about it as the following:
This chemical may catch fire in contact with air, only need brief contact with an ignition source. It has a very low flash point or evolves highly flammable gases in contact with water. The product is also flammable, so you should keep it away from sources of ignition - No smoking. What's more, do not empty into drains. Take precautionary measures against static discharges.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(F)c(F)c(F)c(F)c1OC
(2)Std. InChI: InChI=1S/C7H3F5O/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3
(3)Std. InChIKey: ZRQUIRABLIQJRI-UHFFFAOYSA-N

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