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CAS No.: | 327-52-6 |
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Name: | 1-Bromo-2,4,5-trifluorobenzene |
Molecular Structure: | |
Formula: | C6H2BrF3 |
Molecular Weight: | 210.981 |
Synonyms: | 2,4,5-Trifluoro Bromo Benzene;2,4,5-trifluoro bromobenzene; |
EINECS: | 206-318-8 |
Density: | 1.784 g/cm3 |
Melting Point: | -19 °C(lit.) |
Boiling Point: | 144 °C at 760 mmHg |
Flash Point: | 55.6 °C |
Solubility: | insoluble in water |
Appearance: | clear slightly yellow liquid |
Hazard Symbols: | Xi; F |
Risk Codes: | 36/37/38-10 |
Safety: | 26-36/37/39-16 |
Transport Information: | UN 1993 3/PG 3 |
PSA: | 0.00000 |
LogP: | 10.37880 |
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The 1-Bromo-2,4,5-trifluorobenzene, with the CAS registry number 327-52-6 and EINECS registry number 206-318-8, has the systematic name of 1-bromo-2,4,5-trifluorobenzene. And the molecular formula of this chemical is C6H2BrF3. It is a kind of clear slightly yellow liquid, and belongs to the following product categories: Aromatic Hydrocarbons (substituted) & Derivatives; Miscellaneous; Benzenes; Aryl; C6; Halogenated Hydrocarbons. What's more, it is used as intermediates of liquid crystals.
The physical properties of 1-Bromo-2,4,5-trifluorobenzene are as following: (1)ACD/LogP: 3.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 111.84; (6)ACD/BCF (pH 7.4): 111.84; (7)ACD/KOC (pH 5.5): 1018.55; (8)ACD/KOC (pH 7.4): 1018.55; (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: 1.485; (14)Molar Refractivity: 33.92 cm3; (15)Molar Volume: 118.2 cm3; (16)Polarizability: 13.44×10-24cm3; (17)Surface Tension: 31 dyne/cm; (18)Density: 1.784 g/cm3; (19)Flash Point: 55.6 °C; (20)Enthalpy of Vaporization: 36.54 kJ/mol; (21)Boiling Point: 144 °C at 760 mmHg; (22)Vapour Pressure: 6.54 mmHg at 25°C.
Uses of 1-Bromo-2,4,5-trifluorobenzene: It can react with carbon dioxide to produce 3-bromo-2,5,6-trifluorobenzoic acid. This reaction will need reagent LDA, and the solvents hexane and tetrahydrofuran. The reaction time is 2 minutes, and the yield is about 83%.
You should be cautious while dealing with this chemical. It is a kind if flammable chemical whcih irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; Keep away from sources of ignition - No smoking.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(F)cc(Br)c(F)c1
(2)InChI: InChI=1/C6H2BrF3/c7-3-1-5(9)6(10)2-4(3)8/h1-2H
(3)InChIKey: DVTULTINXNWGJY-UHFFFAOYAU