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4-Bromo-2,6-difluoroaniline

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Name

4-Bromo-2,6-difluoroaniline

EINECS 642-485-7
CAS No. 67567-26-4 Density 1.788 g/cm3
PSA 26.02000 LogP 2.89070
Solubility N/A Melting Point 63-65 °C(lit.)
Formula C6H4BrF2N Boiling Point 188.2 °C at 760 mmHg
Molecular Weight 208.005 Flash Point 67.6 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39-22 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 67567-26-4 (4-Bromo-2,6-difluoroaniline) Hazard Symbols HarmfulXn
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-;

Article Data 24

4-Bromo-2,6-difluoroaniline Specification

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%.  

4-Bromo-2,6-difluoroaniline can react with N,N-dimethyl-acetamide to produce 4-amino-3,5-difluoroacetophenone

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

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