| Identification | More | [Name]
5-Bromo-1,2,3-trifluorobenzene | [CAS]
138526-69-9 | [Synonyms]
1,2,3-TRIFLUORO-5-BROMOBENZENE
1-BROMO-3,4,5-TRIFLUOROBENZENE
3,4,5-TRIFLUOROBROMOBENZENE
5-BROMO-1,2,3-TRIFLUOROBENZENE
BENZENE, 5-BROMO-1,2,3-TRIFLUORO-
1-Bromo-3,4,5-trifluoribenzene
3,4,5-Trifluoro-1-bromobenzene
3,4,5-Ttrifluorobromobenzene
1-Bromo-3,4,5-trifluorobenzene 99%
1-Bromo-3,4,5-trifluorobenzene99%
1-Brom-3,4,5-trifluorbenzol | [EINECS(EC#)]
418-480-9 | [Molecular Formula]
C6H2BrF3 | [MDL Number]
MFCD00070738 | [Molecular Weight]
210.98 | [MOL File]
138526-69-9.mol |
| Chemical Properties | Back Directory | [Appearance]
Clear slightly yellow liquid | [Melting point ]
<-20°C | [Boiling point ]
47-49 °C60 mm Hg(lit.)
| [density ]
1.767 g/mL at 25 °C(lit.)
| [vapor pressure ]
8.65hPa at 25℃ | [refractive index ]
n20/D 1.482(lit.)
| [Fp ]
113 °F
| [storage temp. ]
Flammables area | [solubility ]
0.130g/l | [form ]
clear liquid | [color ]
Colorless to Almost colorless | [Specific Gravity]
1.78 | [Water Solubility ]
insoluble | [Usage]
Intermediates of Liquid Crystals | [BRN ]
7249191 | [InChIKey]
HKJCELUUIFFSIN-UHFFFAOYSA-N | [LogP]
3.53 at 40℃ | [CAS DataBase Reference]
138526-69-9(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,N,Xi,F | [Risk Statements ]
R10:Flammable.
R38:Irritating to the skin.
R40:Limited evidence of a carcinogenic effect.
R41:Risk of serious damage to eyes.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
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 .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S36:Wear suitable protective clothing .
S16:Keep away from sources of ignition-No smoking . | [RIDADR ]
UN 1993 3/PG 3
| [WGK Germany ]
2
| [Hazard Note ]
Irritant | [HazardClass ]
3 | [PackingGroup ]
III | [HS Code ]
29036990 |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
1,2,3-Trifluorobenzene-->Dichloromethane-->Water-->Sodium hypochlorite-->Sodium bromide-->Sodium dihydrogen phosphate | [Preparation Products]
3,4,5-Trifluorophenol-->3,4,5-Trifluoroaniline-->3',4',5'-trifluorobiphenyl-2-aMine-->3,4,5-Trifluorobenzenemethanol-->3',4',5'-TRIFLUOROACETOPHENONE-->TRANS-2-(3,4,5-TRIFLUOROPHENYL)CYCLOPENTANOL-->Benzene, 5-ethenyl-1,2,3-trifluoro- (9CI)-->3,4,5-Trifluorophenylboronic acid |
| Hazard Information | Back Directory | [Chemical Properties]
Clear slightly yellow liquid | [Uses]
Intermediates of Liquid Crystals | [Flammability and Explosibility]
Flammable | [Synthesis]
3,4,5-trifluorobromobenzene was synthesized as follows: (1) 1 mole of 1,2,3-trifluorobenzene and 3 moles of methylene chloride were added to a 2-liter reaction flask, and the mixed solution was cooled to 8-12°C; (2) 1.0 mole of sodium bromide and 120 g of sodium dihydrogen phosphate were dissolved in water to prepare an aqueous solution, which was cooled to 12°C and then added to the reaction flask of step (1); (3) at 15°C, a 10% sodium hypochlorite solution containing 1.2 moles of sodium hypochlorite was slowly added dropwise to the reaction flask, and the dropwise process lasted for 100 minutes, and then the reaction was continued at the same temperature for 60 minutes; (4) after completion of the reaction, the reaction was static layered, and the organic phase was separated, washed with water to neutrality, and dried with calcium chloride, and then the solvent was removed, and the crude 3,4,5-trifluorobromobenzene was obtained; (5) the crude product was at -25 °C Melt recrystallization was carried out to obtain 200 g of pure 3,4,5-trifluorobromobenzene with a yield of 94.6% and a purity of 99.5%. | [References]
[1] Patent: CN108947763, 2018, A. Location in patent: Paragraph 0020-0040
[2] European Journal of Organic Chemistry, 2003, # 3, p. 447 - 451
[3] European Journal of Organic Chemistry, 2003, # 3, p. 447 - 451
[4] European Journal of Organic Chemistry, 2003, # 3, p. 447 - 451
[5] European Journal of Organic Chemistry, 2003, # 3, p. 447 - 451 |
| Spectrum Detail | Back Directory | [Spectrum Detail]
5-Bromo-1,2,3-trifluorobenzene(138526-69-9)MS
5-Bromo-1,2,3-trifluorobenzene(138526-69-9)1HNMR
5-Bromo-1,2,3-trifluorobenzene(138526-69-9)13CNMR
5-Bromo-1,2,3-trifluorobenzene(138526-69-9)IR1
5-Bromo-1,2,3-trifluorobenzene(138526-69-9)Raman
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