| Identification | More | [Name]
4-Bromobenzotrifluoride | [CAS]
402-43-7 | [Synonyms]
1-BROMO-4-(TRIFLUOROMETHYL)BENZENE 4-BROMO-1-TRIFLUOROMETHYLBENZENE 4-BROMO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE 4-BROMOBENZOTRIFLUORIDE 4-BROMOTRIFLUOROTOLUENE P-BROMO-A,A,A-TRIFLUOROTOLUENE P-BROMOBENZOTRIFLUORIDE P-BROMOTRIFLUOROMETHYLBENZENE P-BROMOTRIFLUOROTOLUENE 1-bromo-4-(trifluoromethyl)-benzen 4-Trifluoromethylbromobenzene Benzene,1-bromo-4-(trifluoromethyl)- p-(Trifluoromethyl)bromobenzene para-Bromobenzotrifluoride p-Bromo-alpha,alpha,alpha-trifluorotoluene Toluene, 1-bromo-alpha,alpha,alpha-trifluoro- Toluene, p-bromo-alpha,alpha,alpha-trifluoro- 4-bormobenzotrifluoride 1-Bromo-4-(Trifluoromethyl)Benzene/P-Bormobenzotrifluoride 4-BromotrifluoromethylBenzene | [EINECS(EC#)]
206-943-6 | [Molecular Formula]
C7H4BrF3 | [MDL Number]
MFCD00000398 | [Molecular Weight]
225.01 | [MOL File]
402-43-7.mol |
| Chemical Properties | Back Directory | [Appearance]
CLEAR COLOURLESS TO LIGHT YELLOW LIQUID | [Boiling point ]
154-155 °C(lit.)
| [density ]
1.607 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.472(lit.)
| [Fp ]
120 °F
| [storage temp. ]
Flammables area | [solubility ]
Not miscible or difficult to mix. | [form ]
Liquid | [color ]
Clear colorless to light yellow | [Specific Gravity]
1.607 | [BRN ]
2045666 | [InChI]
InChI=1S/C7H4BrF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H | [InChIKey]
XLQSXGGDTHANLN-UHFFFAOYSA-N | [SMILES]
C1(Br)=CC=C(C(F)(F)F)C=C1 | [CAS DataBase Reference]
402-43-7(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzene, 1-bromo-4-(trifluoromethyl)-(402-43-7) | [EPA Substance Registry System]
402-43-7(EPA Substance) |
| Questions And Answer | Back Directory | [Synthesis]
N-Methyl-2-pyrrolidone (NMP) (50 mL) was added to 1-bromo-4-iodobenzene (1 equivalent, 1278 mg, 4.42 mmol), cuprous iodide (I) (1.5 equivalent, 1263 mg, 6.63 mmol), and 2-fluorosulfonyl difluoroacetic acid (5 equivalent, 4249 mg, 2.82 mL, 22.12 mmol). The brown reaction mixture was heated and stirred at 80°C for 16 hours under an argon atmosphere. The reaction mixture was diluted with diethyl ether (25 mL) and filtered through diatomaceous earth. Water was added to the filtrate, and the aqueous layer was extracted with diethyl ether (4 × 25 mL). The organic layer was washed with water (2 × 25 mL) and brine, dried over MgSO₄, and concentrated under reduced pressure. 
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| Safety Data | Back Directory | [Symbol(GHS) ]
  GHS02,GHS07 | [Signal word ]
Warning | [Hazard statements ]
H226-H315-H319 | [Precautionary statements ]
P210-P302+P352-P305+P351+P338 | [Hazard Codes ]
Xi,F,Xn | [Risk Statements ]
R10:Flammable. R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36:Wear suitable protective clothing . 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 | [TSCA ]
T | [REACH Registrations]
Inactive | [HazardClass ]
3 | [PackingGroup ]
III | [HS Code ]
29036990 | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Eye Irrit. 2 Flam. Liq. 3 Skin Irrit. 2 |
| Hazard Information | Back Directory | [Chemical Properties]
CLEAR COLOURLESS TO LIGHT YELLOW LIQUID | [Uses]
4-Bromobenzotrifluoride is used to study the catalytic activity of palladacycle using Suzuki-Miyaura reaction. |
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