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| CAS No.: | 141474-37-5 |
|---|---|
| Name: | 2,4-DIBROMO-6-FLUOROANILINE |
| Article Data: | 6 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H4Br2FN |
| Molecular Weight: | 268.911 |
| Synonyms: | 2,4-Dibromo-6-fluoroaniline;2-Fluoro-4,6-dibromoaniline; |
| Density: | 2.096 g/cm3 |
| Melting Point: | 59-64 °C(lit.) |
| Boiling Point: | 245.697 °C at 760 mmHg |
| Flash Point: | 102.394 °C |
| Hazard Symbols: |
 Xn, Xi, T
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36-36/37/39 |
| Transport Information: | UN 2811 |
| PSA: | 26.02000 |
| LogP: | 3.51410 |
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Specification
The 2,4-Dibromo-6-fluoroaniline, with cas registry number 141474-37-5, belongs to the following product categories: (1)Fluorobenzene; (2)Anilines, Aromatic Amines and Nitro Compounds; (3)Anilines, Amides & Amines; (4)Bromine Compounds; (5)Fluorine Compounds. Its systematic name and its IUPAC name are the same, which is 2,4-dibromo-6-fluoroaniline.
Physical properties about this chemical are: (1)ACD/LogP: 3.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.58; (4)ACD/LogD (pH 7.4): 3.58; (5)ACD/BCF (pH 5.5): 308.44; (6)ACD/BCF (pH 7.4): 308.45; (7)ACD/KOC (pH 5.5): 2105.51; (8)ACD/KOC (pH 7.4): 2105.53; (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: 1.633; (14)Molar Refractivity: 45.86 cm3; (15)Molar Volume: 128.2 cm3; (16)Polarizability: 18.18×10-24cm3; (17)Surface Tension: 50 dyne/cm; (18)Enthalpy of Vaporization: 48.28 kJ/mol; (19)Vapour Pressure: 0.0283 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-fluoro-aniline. This reaction will need reagent benzyltrimethylammonium tribromide and solvent CH2Cl2 methanol. The reaction time is 1 hour(s) with reaction temperature of 20 ℃. The yield is about 89%.
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Uses of 2,4-Dibromo-6-fluoroaniline: it can be used to produce 4,4''-dichloro-5'-fluoro-[1,1';3',1'']terphenyl-4'-ylamine. This reaction will need reagent (PPh3)4Pd, K2CO3and solvent benzene, ethanol, H2O. The reaction time is 15 hour(s). The yield is about 83%.
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When you are using this chemical, please be cautious about it as the following:
The 2,4-Dibromo-6-fluoroaniline irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides this, this chemical is harmful by inhalation, in contact with skin and if swallowed.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(Br)cc(Br)c1N
(2)InChI: InChI=1/C6H4Br2FN/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2
(3)InChIKey: YJLXEKFYZIBUPJ-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C6H4Br2FN/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2
(5)Std. InChIKey: YJLXEKFYZIBUPJ-UHFFFAOYSA-N