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654-53-5

Basic Information
CAS No.: 654-53-5
Name: 2,3,4,5-TETRAFLUOROBENZOTRIFLUORIDE
Article Data: 4
Molecular Structure:
Molecular Structure of 654-53-5 (2,3,4,5-TETRAFLUOROBENZOTRIFLUORIDE)
Formula: C7HF7
Molecular Weight: 218.074
Synonyms: α,α,α,2,3,4,5-Heptafluorotoluene;
EINECS: -0
Density: 1.56 g/cm3
Boiling Point: 103.5 °C at 760 mmHg
Flash Point: 16 °C
Appearance: Clear colorless liquid
Hazard Symbols: IrritantXi,FlammableF
Risk Codes: 36/37/38-11
Safety: 9-37/39-33-26-16-36
PSA: 0.00000
LogP: 3.26180
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Specification

The Benzene,1,2,3,4-tetrafluoro-5-(trifluoromethyl)-, with the CAS registry number 654-53-5, is also known as α,α,α,2,3,4,5-Heptafluorotoluene. This chemical's molecular formula is C7HF7 and molecular weight is 218.07. What's more, its IUPAC name is 1,2,3,4-tetrafluoro-5-(trifluoromethyl)benzene.

Physical properties of Benzene,1,2,3,4-tetrafluoro-5-(trifluoromethyl)- are: (1)ACD/LogP: 2.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.69; (4)ACD/LogD (pH 7.4): 2.69; (5)ACD/BCF (pH 5.5): 64.96; (6)ACD/BCF (pH 7.4): 64.96; (7)ACD/KOC (pH 5.5): 690.37; (8)ACD/KOC (pH 7.4): 690.37; (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: 1.364; (14)Molar Refractivity: 31.2 cm3; (15)Molar Volume: 139.7 cm3; (16)Polarizability: 12.37×10-24cm3; (17)Surface Tension: 19.2 dyne/cm; (18)Density: 1.56 g/cm3; (19)Flash Point: 16 °C; (20)Enthalpy of Vaporization: 32.84 kJ/mol; (21)Boiling Point: 103.5 °C at 760 mmHg; (22)Vapour Pressure: 37.2 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemica may cause inflammation to the skin or other mucous membranes. It may catch fire in contact with air, only need brief contact with an ignition source. What's more, it has a very low flash point or it may evolve highly flammable gases in contact with water. The product is irritating to eyes, respiratory system and skin. It is highly flammable. You should keep container in a well-ventilated place. When using it, you need wear protective clothing, gloves and eye/face protection. Moreover, you should take precautionary measures against static discharges. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. At last, you should keep it away from sources of ignition - No smoking.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(cc(F)c(F)c1F)C(F)(F)F
(2)Std. InChI: InChI=1S/C7HF7/c8-3-1-2(7(12,13)14)4(9)6(11)5(3)10/h1H
(3)Std. InChIKey: ZWVOHERGWLDGFT-UHFFFAOYSA-N