| Identification | More | [Name]
3,5-Bis(trifluoromethyl)bromobenzene | [CAS]
328-70-1 | [Synonyms]
1,3-BIS(TRIFLUOROMETHYL)-5-BROMOBENZENE
1-BROMO-3,5-BIS(TRIFLUOROMETHYL)BENZENE
3,5-BIS(TRIFLUOROMETHYL)-1-BROMOBENZENE
3,5-BIS(TRIFLUOROMETHYL)BROMINE BENZENE
3,5-BIS(TRIFLUOROMETHYL)BROMOBENZENE
3,5-DI(TRIFLUOROMETHYL)BROMOBENZENE
5-BROMO-1,3-BIS(TRIFLUOROMETHYL)BENZENE
MBT-BR
Benzene, 1-bromo-3,5-bis(trifluoromethyl)-
m-Xylene, 5-bromo-alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-
3,5-BIS(TRIFLUOROMETHYL)BROMOBENZENE, 99 %
3,5-Bis(Trifluoromethyl)-Bromo
3,5-BIS(TRIFLUOROMETHYL)BROMOBENZENE 98.00%
TRIFLUOROMETHYL BROMOBENZENE
1-Bromo-3,5-bis(trifluoromethyl)benzene, 3,5-Bis(trifluoromethyl)bromobenzene
3,5-Bis(trifluoromethyl)phenyl bromide | [EINECS(EC#)]
206-334-5 | [Molecular Formula]
C8H3BrF6 | [MDL Number]
MFCD00000381 | [Molecular Weight]
293 | [MOL File]
328-70-1.mol |
| Chemical Properties | Back Directory | [Appearance]
clear colourless to slightly yellow liquid | [Melting point ]
−16 °C(lit.)
| [Boiling point ]
154 °C(lit.)
| [density ]
1.699 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.427(lit.)
| [Fp ]
>230 °F
| [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [solubility ]
Chloroform (Slightly), Methanol (Sparingly) | [form ]
Liquid | [color ]
Clear colorless to slightly yellow | [Specific Gravity]
1.699 | [Water Solubility ]
Immiscible with water. | [Detection Methods]
GC,NMR | [BRN ]
2123669 | [InChI]
1S/C8H3BrF6/c9-6-2-4(7(10,11)12)1-5(3-6)8(13,14)15/h1-3H | [InChIKey]
CSVCVIHEBDJTCJ-UHFFFAOYSA-N | [SMILES]
FC(F)(F)c1cc(Br)cc(c1)C(F)(F)F | [CAS DataBase Reference]
328-70-1(CAS DataBase Reference) | [NIST Chemistry Reference]
3,5-Bis(trifluoromethyl)bromobenzene(328-70-1) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H315-H319-H335 | [Precautionary statements ]
P261-P264-P271-P280-P302+P352-P305+P351+P338 | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [REACH Registrations]
Active | [HazardClass ]
IRRITANT | [HS Code ]
29036990 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Aquatic Acute 1
Aquatic Chronic 1
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
clear colourless to slightly yellow liquid | [Uses]
1,3-Bis(trifluoromethyl)-5-bromobenzene is used to prepare the tetrakis[3,5-bis(trifluoromethyl)phenyl]borate ion, which acts as a stabilizing counterion for electrophilic organic and organometallic cations. | [Synthesis Reference(s)]
The Journal of Organic Chemistry, 68, p. 3695, 2003 DOI: 10.1021/jo026903n | [Synthesis]
Example 1: 1,3-bis(trifluoromethyl)benzene (1 kg) was slowly added to concentrated sulfuric acid (4 kg) while stirring the reaction mixture. The mixture was cooled to 5°C and 1,3-dibromo-5,5-dimethylglycolide (DBDMH, 668g) was added in batches over a period of 4 hours while maintaining the temperature between 0°C and 10°C. After completion of the reaction, the mixture was allowed to stand and layered to separate the organic phase. The organic phase was washed sequentially with water and dilute sodium bisulfite solution to remove residual acid and oxidants. Finally, the organic phase was purified by fractional distillation to afford 3,5-bis(trifluoromethyl)bromobenzene (1100 g, 99% purity, 80% yield). | [References]
[1] Journal of Organic Chemistry, 2003, vol. 68, # 9, p. 3695 - 3698
[2] Journal of Organic Chemistry USSR (English Translation), 1991, vol. 27, # 1.2, p. 108 - 112
[3] Zhurnal Organicheskoi Khimii, 1991, vol. 27, # 1, p. 125 - 129
[4] Tetrahedron Letters, 1998, vol. 39, # 52, p. 9621 - 9622
[5] Synlett, 1999, # 8, p. 1245 - 1246 |
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