CAS No.389-40-2,2,3,4,5,6-PENTAFLUOROANISOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	389-40-2
Name:	2,3,4,5,6-PENTAFLUOROANISOLE
Article Data:	14

Formula:	C₇H₃F₅O
Molecular Weight:	198.092
Synonyms:	Methyl pentafluorophenyl ether;1,2,3,4,5-Pentafluoro-6-methoxy-benzene;2,3,4,5,6-Pentafluoroanisole;
EINECS:	206-866-8
Density:	1.472 g/cm³
Melting Point:	-38--37°C
Boiling Point:	139.1 °C at 760 mmHg
Flash Point:	32.2 °C
Appearance:	Clear colourless liquid
Hazard Symbols:	F
Risk Codes:	10
Safety:	16-29-33
Transport Information:	UN 1993
PSA:	9.23000
LogP:	2.39070

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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