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327-76-4

Basic Information
CAS No.: 327-76-4
Name: 2,4-BIS(TRIFLUOROMETHYL)CHLOROBENZENE
Article Data: 3
Molecular Structure:
Molecular Structure of 327-76-4 (2,4-BIS(TRIFLUOROMETHYL)CHLOROBENZENE)
Formula: C8H3ClF6
Molecular Weight: 248.555
Synonyms: 1-Chloro-2,4-bis(trifluoromethyl)benzene;4-Chloro-a,a,a,a',a',a'-hexafluoro-m-xylene;2,4-Bis(Trifluoromethyl)bromobenzene;
EINECS: -0
Density: 1.475 g/cm3
Melting Point: -59 - -58 °C
Boiling Point: 149.9 °C at 760 mmHg
Flash Point: 56.6 °C
Hazard Symbols: IrritantXi,FlammableF
Risk Codes: 36/37/38
Safety: 26-36/37/39
Transport Information: UN 1993
PSA: 0.00000
LogP: 4.37760
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  • 2,4-bis(trifluoromethyl)chlorobenzene  CAS NO.327-76-4

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Specification

The Benzene,1-chloro-2,4-bis(trifluoromethyl)-, with the CAS registry number 327-76-4, is also known as 2,4-Bis(Trifluoromethyl)bromobenzene. This chemical's molecular formula is C8H3ClF6 and molecular weight is 248.55. What's more, its systematic name is 1-chloro-2,4-bis(trifluoromethyl)benzene. 

Physical properties of Benzene,1-chloro-2,4-bis(trifluoromethyl)- are: (1)ACD/LogP: 4.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.45; (4)ACD/BCF (pH 5.5): 1417.22; (5)ACD/KOC (pH 5.5): 6271.87; (6)Index of Refraction: 1.403; (7)Molar Refractivity: 41.1 cm3; (8)Molar Volume: 168.4 cm3; (9)Polarizability: 16.29×10-24cm3; (10)Surface Tension: 20.3 dyne/cm; (11)Density: 1.475 g/cm3; (12)Flash Point: 56.6 °C; (13)Enthalpy of Vaporization: 37.09 kJ/mol; (14)Boiling Point: 149.9 °C at 760 mmHg; (15)Vapour Pressure: 5.01 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. 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: FC(F)(F)c1cc(ccc1Cl)C(F)(F)F
(2)InChI: InChI=1S/C8H3ClF6/c9-6-2-1-4(7(10,11)12)3-5(6)8(13,14)15/h1-3H
(3)InChIKey: XIVDTLKMHDHQCB-UHFFFAOYSA-N