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CAS No.: | 67567-26-4 |
---|---|
Name: | 4-Bromo-2,6-difluoroaniline |
Article Data: | 24 |
Molecular Structure: | |
Formula: | C6H4BrF2N |
Molecular Weight: | 208.005 |
Synonyms: | (4-Bromo-2,6-difluorophenyl)amine;4-Bromo-2,6-difluorobenzenamine;2,6-Difluoro-4-bromoaniline;4-Brom-2,6-difluoranilin;Benzenamine, 4-bromo-2,6-difluoro-; |
EINECS: | 642-485-7 |
Density: | 1.788 g/cm3 |
Melting Point: | 63-65 °C(lit.) |
Boiling Point: | 188.2 °C at 760 mmHg |
Flash Point: | 67.6 °C |
Hazard Symbols: | Xn |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 26-36/37/39-22 |
PSA: | 26.02000 |
LogP: | 2.89070 |
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The 4-Bromo-2,6-difluoroaniline, with the CAS registry number 67567-26-4, is also called 4-Bromo-2,6-difluorobenzenamine. It belongs to the following product categories: Anilines, Aromatic Amines and Nitro Compounds; Anilines, Amides & Amines; Bromine Compounds; Fluorine Compounds; Amines; C2 to C6; Nitrogen Compounds. And the molecular formula of this chemical is C6H4BrF2N.
The physical properties of 4-Bromo-2,6-difluoroaniline are as following: (1)ACD/LogP: 2.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.74; (4)ACD/LogD (pH 7.4): 2.74; (5)ACD/BCF (pH 5.5): 71.32; (6)ACD/BCF (pH 7.4): 71.32; (7)ACD/KOC (pH 5.5): 738.12; (8)ACD/KOC (pH 7.4): 738.15; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 38.16 cm3; (15)Molar Volume: 116.3 cm3; (16)Polarizability: 15.13×10-24cm3; (17)Surface Tension: 42.9 dyne/cm; (18)Density: 1.788 g/cm3; (19)Flash Point: 67.6 °C; (20)Enthalpy of Vaporization: 42.44 kJ/mol; (21)Boiling Point: 188.2 °C at 760 mmHg; (22)Vapour Pressure: 0.608 mmHg at 25°C.
Uses of 4-Bromo-2,6-difluoroaniline: It can react with N,N-dimethyl-acetamide to produce 4-amino-3,5-difluoroacetophenone. This reaction will need reagent BuLi. The reaction temperature is -60 ~-50°C, and the yield is about 74%.
You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowe. Therefore, you had better take the following instructions: Do not breathe dust; Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(N)c(F)cc(Br)c1
(2)InChI: InChI=1/C6H4BrF2N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2
(3)InChIKey: BFQSQUAVMNHOEF-UHFFFAOYAN