| Identification | More | [Name]
1-Bromo-2,4,5-trifluorobenzene | [CAS]
327-52-6 | [Synonyms]
1-BROMO-2,4,5-TRIFLUOROBENZENE
2,4,5-TRIFLUOROBROMOBENZENE
2-BROMO-1,4,5-TRIFLUOROBENZENE
2,4,5-TRIFLUOROBENZOBROMIDE
1-Bromo-2,4,5-trifluorobenzene 99%
1-Bromo-2,4,5-trifluorobenzene99%
1-BROMO-2,4,5-TRIFLUOROBENZENE 98+%
2,4,5-Trifluorophenyl bromide
1,2,4-Trifluoro-5-bromobenzene | [EINECS(EC#)]
206-318-8 | [Molecular Formula]
C6H2BrF3 | [MDL Number]
MFCD00000306 | [Molecular Weight]
210.98 | [MOL File]
327-52-6.mol |
| Chemical Properties | Back Directory | [Appearance]
clear slightly yellow liquid | [Melting point ]
−19 °C(lit.)
| [Boiling point ]
144 °C(lit.)
| [density ]
1.802 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.485(lit.)
| [Fp ]
132 °F
| [storage temp. ]
Sealed in dry,2-8°C | [solubility ]
water: insoluble | [form ]
clear liquid | [color ]
Colorless to Light yellow to Light orange | [Specific Gravity]
1.81 | [Water Solubility ]
insoluble | [Usage]
Intermediates of Liquid Crystals | [BRN ]
1636588 | [InChI]
InChI=1S/C6H2BrF3/c7-3-1-5(9)6(10)2-4(3)8/h1-2H | [InChIKey]
DVTULTINXNWGJY-UHFFFAOYSA-N | [SMILES]
C1(Br)=CC(F)=C(F)C=C1F | [CAS DataBase Reference]
327-52-6(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzene, 1-bromo-2,4,5-trifluoro-(327-52-6) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,F | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R10:Flammable. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S37/39:Wear suitable gloves and eye/face protection .
S16:Keep away from sources of ignition-No smoking . | [RIDADR ]
UN 1993 3/PG 3
| [WGK Germany ]
3
| [Hazard Note ]
Flammable | [HazardClass ]
3 | [PackingGroup ]
III | [HS Code ]
29039990 | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3 |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
1,2,4-Trifluorobenzene | [Preparation Products]
2,4,5-Trifluorophenylacetic acid-->(R)-3-AMino-4-(2,4,5-trifluoro-phenyl)-butyric acid hydrochloride-->Sitagliptin N-Boc IMpurity-->Carbamic acid, N-[(1R)-3-hydroxy-1-[(2,4,5-trifluorophenyl)methyl]propyl]-, 1,1-dimethylethyl ester |
| Hazard Information | Back Directory | [Chemical Properties]
clear slightly yellow liquid | [Uses]
Intermediates of Liquid Crystals | [Definition]
ChEBI: 1-Bromo-2,4,5-trifluorobenzene is an organofluorine compound. | [General Description]
1-Bromo-2,4,5-trifluorobenzene undergoes Br-Mg-exchange reaction with i-PrMgBr in THF to yield organomagnesium compound. | [Synthesis]
The general procedure for the synthesis of 2,4,5-trifluorobromobenzene from 1,2,4-trifluorobenzene was as follows: 100 g of 1,2,4-trifluorobenzene and 3 g of tin tetrachloride-polystyrene complex were added to a 500 mL three-necked flask, and glacial acetic acid was used as the reaction solvent. At room temperature, 127 mL of liquid bromine was added slowly and dropwise. The reaction lasted for 2 h, during which the progress of the reaction was monitored by thin-layer chromatography (TLC), and after confirming that the ingredients were fully reacted, vacuum evaporation was performed to remove the glacial acetic acid. Subsequently, 500 mL of chloroform was added and the organic phase was washed with 3% dilute hydrochloric acid, followed by the addition of saturated sodium sulfite solution to remove residual bromine from the organic phase. After sequential washing, the organic phase was washed with saturated saline. Finally, the solvent was removed by distillation to afford 158 g of 2,4,5-trifluorobromobenzene in 98.7% yield and 99.6% purity as shown by gas chromatography analysis. | [References]
[1] Patent: CN107673951, 2018, A. Location in patent: Paragraph 0015; 0016; 0017; 0018
[2] Journal of the American Chemical Society, 1951, vol. 73, p. 153
[3] Journal of the American Chemical Society, 1959, vol. 81, p. 94,98 |
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