CAS No.771-56-2,2,3,4,5,6-PENTAFLUOROTOLUENE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	771-56-2
Name:	2,3,4,5,6-PENTAFLUOROTOLUENE
Article Data:	37

Formula:	C₇H₃F₅
Molecular Weight:	182.093
Synonyms:	Methylpentafluorobenzene;2,3,4,5,6-Pentafluorotoluene;Pentafluoromethylbenzene;
EINECS:	212-233-7
Density:	1.436 g/cm³
Melting Point:	?30 °C(lit.)
Boiling Point:	117.2 °C at 760 mmHg
Flash Point:	34.4 °C
Solubility:	It is soluble in most common organic solvents and insoluble in water.
Appearance:	Colorless Liquid
Hazard Symbols:	Xn,F,Xi
Risk Codes:	10-20/21/22-36/37/38
Safety:	16-26-36
Transport Information:	UN 1993
PSA:	0.00000
LogP:	2.69050

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Specification

The Benzene,1,2,3,4,5-pentafluoro-6-methyl-, with the CAS registry number 771-56-2, is also known as Methylpentafluorobenzene. It belongs to the product categories of Aryl; C₇; Halogenated Hydrocarbons. Its EINECS number is 212-233-7. This chemical's molecular formula is C₇H₃F₅ and molecular weight is 182.09. What's more, its IUPAC name is 1,2,3,4,5-pentafluoro-6-methylbenzene.

Physical properties of Benzene,1,2,3,4,5-pentafluoro-6-methyl- are: (1)ACD/LogP: 2.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.86; (4)ACD/LogD (pH 7.4): 2.86; (5)#H bond acceptors: 0; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: Å²; (9)Index of Refraction: 1.404; (10)Molar Refractivity: 31.04 cm³; (11)Molar Volume: 126.7 cm³; (12)Polarizability: 12.3×10^-24cm³; (13)Surface Tension: 23.9 dyne/cm; (14)Density: 1.436 g/cm³; (15)Flash Point: 34.4 °C; (16)Enthalpy of Vaporization: 34.75 kJ/mol; (17)Boiling Point: 117.2 °C at 760 mmHg; (18)Vapour Pressure: 21 mmHg at 25°C.

Preparation: this chemical can be prepared by methylmagnesium iodide and hexafluorobenzene at the temperature of 25°C. This reaction will need reagent AgCl and solvent diethyl ether. The yield is about 27%.

Benzene,1,2,3,4,5-pentafluoro-6-methyl- can be prepared by methylmagnesium iodide and hexafluorobenzene at the temperature of 25°C

Uses of Benzene,1,2,3,4,5-pentafluoro-6-methyl-: it can be used to produce 4-methyl-2,3,5,6-tetrafluoranisol by heating. It will need reagent methanol with the reaction time of 136 hours. The yield is about 82%.

Benzene,1,2,3,4,5-pentafluoro-6-methyl- can be used to produce 4-methyl-2,3,5,6-tetrafluoranisol by heating

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It may catch fire in contact with air, only need brief contact with an ignition source, and it has a very low flash point or evolve highly flammable gases in contact with water. What's more, the product may cause inflammation to the skin or other mucous membranes. It is flammable. The chemical is also harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. You should keep away from sources of ignition - No smoking. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(C)c(F)c(F)c(F)c1F
(2)Std. InChI: InChI=1S/C7H3F5/c1-2-3(8)5(10)7(12)6(11)4(2)9/h1H3
(3)Std. InChIKey: SXPRVMIZFRCAGC-UHFFFAOYSA-N