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Cas Database |
| Name |
2,6-dibromoaniline |
EINECS | 210-158-4 |
| CAS No. | 608-30-0 | Density | 2.022 g/cm3 |
| PSA | 26.02000 | LogP | 3.37500 |
| Solubility | Insoluble in water. | Melting Point |
80-82 °C(lit.) |
| Formula | C6H5Br2N | Boiling Point | 265.8 °C at 760 mmHg |
| Molecular Weight | 250.92 | Flash Point | 114.6 °C |
| Transport Information | N/A | Appearance | white to pale yellow or grey crystalline powder |
| Safety | 26-36 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
2,6-Dibromo aniline;2,6-Dibromo-Phenylamine; |
Article Data | 22 |
2,6-dibromoaniline Synthetic route
- 96237-91-1
2,6-dibromobenzamide
- 608-30-0
2,6-dibromoaniline
| Conditions | Yield |
|---|---|
| With bromine; potassium hydroxide In water at 5℃; Reflux; | 83% |
| With sodium hypobromide |
| Conditions | Yield |
|---|---|
| Stage #1: 2,6-dibromobenzoic acid With sulfuric acid at 60℃; for 1.5h; Stage #2: With sodium azide at 20℃; for 42h; Schmidt rearrangement; Stage #3: With ammonium hydroxide at 0℃; | 78% |
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide; potassium bromide; HZSM-5 In acetic acid at 20℃; for 4h; Bromination; | A 67% B 29% |
| With sodium perborate; ammonium heptamolybdate; potassium bromide In acetic acid at 20℃; for 2h; Bromination; |
| Conditions | Yield |
|---|---|
| With water Inert atmosphere; | A 60% B 56% |
- 13402-32-9
1,3-dibromo-2-nitrobenzene
- 608-30-0
2,6-dibromoaniline
| Conditions | Yield |
|---|---|
| With hydrogenchloride; tin(ll) chloride | |
| bei der Reduktion; |
- 39150-45-3
3,5-dibromosulfanilamide
- 608-30-0
2,6-dibromoaniline
| Conditions | Yield |
|---|---|
| With sulfuric acid at 175 - 180℃; Darst. Beim Einleiten von Wasserdampf; | |
| With sulfuric acid |
- 608-30-0
2,6-dibromoaniline
| Conditions | Yield |
|---|---|
| With hydrogenchloride; acetic acid; sodium nitrite |
- 78824-10-9
3,5-dibromosulfanilic acid
- 608-30-0
2,6-dibromoaniline
| Conditions | Yield |
|---|---|
| With sulfuric acid und leitet ueberhitzten Wasserdampf ein; | |
| With sulfuric acid |
| Conditions | Yield |
|---|---|
| With sulfuric acid for 8h; Heating; Yield given; |
2,6-dibromoaniline Specification
The 2,6-dibromoaniline, with the cas registry number 608-30-0, is a kind of white to pale yellow or grey crystalline powder. And its product categories are various, including anilines, aromatic amines and nitro compounds; amines; c2 to c6; nitrogen compounds. This chemical has been used as organic synthesis intermediates.
The characteristics of this chemical are as follows: (1)#H bond acceptors: 1; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 26.02 ; (5)Index of Refraction: 1.661; (6)Molar Refractivity: 45.86 cm3; (7)Molar Volume: 124 cm3; (8)Polarizability: 18.18 ×10-24 cm3; (9)Surface Tension: 52.5 dyne/cm; (10)Density: 2.022 g/cm3; (11)Flash Point: 114.6 °C; (12)Enthalpy of Vaporization: 50.38 kJ/mol; (13)Boiling Point: 265.8 °C at 760 mmHg; (14)Vapour Pressure: 0.00896 mmHg at 25°C; (15)Exact Mass: 250.876828; (16)MonoIsotopic Mass: 248.878874; (17)Topological Polar Surface Area: 26; (18)Heavy Atom Count: 9; (19)Complexity: 87.1.
The production method is as below: 2-bromo-aniline could react to produce 2,4-dibromo-aniline and 2,6-dibromoaniline, with the following condition: reagent: KBr and 30 percent H2O2; catalytic agent: HZSM-5; solution: acetic acid; reation time: 4 hours; reaction temp.: 20 ℃; yield: 67%.
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Use of Caprolactam is as below: acrylamide could react with 2,6-dibromo-aniline to produce 2-chloro-3-(2,6-dibromo-phenyl)-propionamide, with the following condition: reagent: CuCl2, isoamyl nitrite; solution: acetonitrile; reaction time: 1 hour; yield: 54%; other condition: Ambient temperature.
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While dealing with this chemical, you should be very cautious. For being a kind of irritant chemical, it may cause inflammation to the skin or other mucous membranes. Therefore, you should take the following instructions. Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Additionally, the following data information could be converted into the molecular structure:
(1)SMILES:Brc1cccc(Br)c1N
(2)InChI:InChI=1/C6H5Br2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2
(3)InChIKey:XIRRDAWDNHRRLB-UHFFFAOYAA
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