Name: 2,3,5,6-TETRAFLUORO-P-XYLENE
SKU: 703-87-7

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Basic Information

Molecular Structure:
CAS No.:	703-87-7
Name:	2,3,5,6-TETRAFLUORO-P-XYLENE

Formula:	C₈H₆F₄
Molecular Weight:	178.129
Synonyms:	1,4-Dimethyltetrafluorobenzene;1,2,4,5-Tetrafluor-3,6-dimethylbenzol;1,2,4,5-Tetrafluoro-3,6-dimethylbenzene;2,3,5,6-Tetrafluoro-1,4-xylene;
Density:	1.283 g/cm³
Melting Point:	35-37 °C(lit.)
Boiling Point:	143.5 °C at 760 mmHg
Flash Point:	47.2 °C
Hazard Symbols:	Xi
Risk Codes:	10-36/37/38
Safety:	16-26-36/37/39
Transport Information:	UN 1325
PSA:	0.00000
LogP:	2.85980

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Specification

The Benzene,1,2,4,5-tetrafluoro-3,6-dimethyl-, with the CAS registry number 703-87-7, is also known as 1,4-Dimethyltetrafluorobenzene. It belongs to the product categories of Aryl; C₈; Halogenated Hydrocarbons. This chemical's molecular formula is C₈H₆F₄ and molecular weight is 178.13. What's more, its IUPAC name is 1,2,4,5-tetrafluoro-3,6-dimethylbenzene.

Physical properties of Benzene,1,2,4,5-tetrafluoro-3,6-dimethyl- are: (1)ACD/LogP: 3.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.38; (4)ACD/LogD (pH 7.4): 3.38; (5)ACD/BCF (pH 5.5): 216.58; (6)ACD/BCF (pH 7.4): 216.58; (7)ACD/KOC (pH 5.5): 1634.69; (8)ACD/KOC (pH 7.4): 1634.69; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.43; (14)Molar Refractivity: 35.87 cm³; (15)Molar Volume: 138.8 cm³; (16)Polarizability: 14.22×10^-24cm³; (17)Surface Tension: 25.2 dyne/cm; (18)Density: 1.283 g/cm³; (19)Flash Point: 47.2 °C; (20)Enthalpy of Vaporization: 36.49 kJ/mol; (21)Boiling Point: 143.5 °C at 760 mmHg; (22)Vapour Pressure: 6.68 mmHg at 25°C.

Preparation: this chemical can be prepared by hexafluorobenzene and methyllithium by heating. This reaction will need solvent diethyl ether with the reaction time of 3 hours. The yield is about 77%.

Benzene,1,2,4,5-tetrafluoro-3,6-dimethyl- can be prepared by hexafluorobenzene and methyllithium by heating

Uses of Benzene,1,2,4,5-tetrafluoro-3,6-dimethyl-: it can be used to produce 2,3,5,6-Tetrafluor-ω,ω'-dibrom-xylol. It will need reagent NBS. The yield is about 69%.

Benzene,1,2,4,5-tetrafluoro-3,6-dimethyl- can be used to produce 2,3,5,6-Tetrafluor-ω,ω'-dibrom-xylol

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is flammable. What's more, the product is irritating to eyes, respiratory system and skin. You should keep away from sources of ignition - No smoking. Moreover, 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, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(c(F)c(F)c(c1F)C)C
(2)Std. InChI: InChI=1S/C8H6F4/c1-3-5(9)7(11)4(2)8(12)6(3)10/h1-2H3
(3)Std. InChIKey: IWKPBYPUIPVYNZ-UHFFFAOYSA-N