| Identification | More | [Name]
4-Bromo-2,6-difluoroaniline | [CAS]
67567-26-4 | [Synonyms]
2,6-DIFLUORO-4-BROMOANILINE
4-BROMO-2,6-DIFLUOROANILINE
BUTTPARK 22\07-66
4-BROMO-2,6-DIFLUOROANILINE 99% | [EINECS(EC#)]
642-485-7 | [Molecular Formula]
C6H4BrF2N | [MDL Number]
MFCD00013389 | [Molecular Weight]
208 | [MOL File]
67567-26-4.mol |
| Chemical Properties | Back Directory | [Melting point ]
63-65 °C (lit.) | [Boiling point ]
188.2±35.0 °C(Predicted) | [density ]
1.788±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [form ]
Crystalline Powder | [pka]
1.11±0.10(Predicted) | [color ]
Brown | [InChI]
InChI=1S/C6H4BrF2N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2 | [InChIKey]
BFQSQUAVMNHOEF-UHFFFAOYSA-N | [SMILES]
C1(N)=C(F)C=C(Br)C=C1F | [CAS DataBase Reference]
67567-26-4(CAS DataBase Reference) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H302+H312+H332-H315-H319-H335 | [Precautionary statements ]
P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338 | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S22:Do not breathe dust . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [REACH Registrations]
Active | [HazardClass ]
IRRITANT | [HS Code ]
29214200 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Description]
4-Bromo-2,6-difluoroaniline is a polyfunctional aniline derivative bearing a bromine atom at the para-position and two fluorine atoms at the ortho-positions. Its functional groups render this compound relatively reactive, enabling participation in substitution, displacement, and condensation coupling reaction systems. It finds extensive application within the field of organic synthesis. Furthermore, conjugated quasi-planar triphenylamines synthesised from 4-bromo-2,6-difluoroaniline serve as hole-transporting materials in perovskite solar cells and organic light-emitting diodes (OLEDs). | [Chemical Properties]
Off-white crystalline | [Uses]
4-Bromo-2,6-difluoroaniline is used in the preparation of potent, VEGF receptor tyrosine kinase inhibitors. | [Synthesis]
b) Preparation of Intermediate 2: Dissolve 2,6-difluoroaniline (3.0 g, 22.56 mmol) in acetic acid (10 mL). Bromine (1.2 mL) was slowly added dropwise to the above solution. The reaction mixture was stirred at room temperature for 15 minutes. After the reaction was completed, the solvent was evaporated under reduced pressure. The residue was neutralized with aqueous sodium carbonate and the aqueous phase was subsequently extracted with dichloromethane. The organic phases were combined, dried with anhydrous magnesium sulfate, filtered and concentrated under reduced pressure to give Intermediate 2 in 92% yield. | [References]
[1] Angewandte Chemie - International Edition, 2016, vol. 55, # 4, p. 1544 - 1547
[2] Angew. Chem., 2016, vol. 128, # 4, p. 1569 - 1573,5
[3] Journal of Materials Chemistry C, 2016, vol. 4, # 23, p. 5326 - 5333
[4] Patent: WO2006/15985, 2006, A1. Location in patent: Page/Page column 54
[5] Patent: US6716491, 2004, B2 |
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