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| CAS No.: | 618-80-4 |
|---|---|
| Name: | 2,6-Dichloro-4-nitrophenol |
| Molecular Structure: | |
|
|
|
| Formula: | C6H3Cl2NO3 |
| Molecular Weight: | 208.001 |
| Synonyms: | 4-Nitro-2,6-dichlorophenol;NSC 4123;phenol, 2,6-dichloro-4-nitro-; |
| EINECS: | 210-563-6 |
| Density: | 1.682 g/cm3 |
| Melting Point: | 123-126 °C (dec.) |
| Boiling Point: | 285.2 °C at 760 mmHg |
| Flash Point: | 126.3 °C |
| Appearance: | yellow crystalline powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36-36/37/39 |
| Transport Information: | UN 2811 6.1/PG 1 |
| PSA: | 66.05000 |
| LogP: | 3.13040 |
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| Conditions | Yield |
|---|---|
| With Zn(NO3)2*2N2O4 In dichloromethane at 20℃; for 0.0833333h; | 98% |
| With tetra(n-butyl)ammonium dichromate(VI); sodium nitrite In dichloromethane for 23h; Reflux; chemoselective reaction; | 98% |
| With Tetraethylene glycol; silica gel; dinitrogen tetraoxide In dichloromethane at 20℃; for 0.0833333h; | 97% |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; chlorine In water at 10℃; for 3.5h; Solvent; Temperature; | 93% |
| With sodium periodate; sulfuric acid; sodium dodecyl-sulfate; acetic acid; sodium chloride In water at 40℃; for 2h; | 93% |
| With trichloroisocyanuric acid; brilliant green carbocation In acetonitrile at 20℃; for 0.25h; Irradiation; regioselective reaction; | 58% |
- 1620783-12-1
2-(2,6-dichloro-4-nitrophenoxy)pyridine
- 618-80-4
2,6-dichloro-4-nitrophenol
| Conditions | Yield |
|---|---|
| Stage #1: 2-(2,6-dichloro-4-nitrophenoxy)pyridine With methyl trifluoromethanesulfonate In toluene at 100℃; for 2h; Inert atmosphere; Schlenk technique; Stage #2: With sodium In methanol at 80℃; for 0.5h; Inert atmosphere; Schlenk technique; | 77% |
| Conditions | Yield |
|---|---|
| With hydrogenchloride |
| Conditions | Yield |
|---|---|
| With acetic acid; sodium nitrite |
| Conditions | Yield |
|---|---|
| With water; chlorine |
- 25319-98-6
3,5-dichloro-4-hydroxybenzene sulfonic acid
- 618-80-4
2,6-dichloro-4-nitrophenol
| Conditions | Yield |
|---|---|
| beim Nitrieren; |
- 381-73-7
Difluoroacetic acid
- 46063-82-5
2,6-dichloro-4-nitro-phenolate
A
- 618-80-4
2,6-dichloro-4-nitrophenol
B
- 83193-04-8
2,2-difluoroacetate
| Conditions | Yield |
|---|---|
| In dimethyl sulfoxide at 20℃; Equilibrium constant; Rate constant; |
- 46063-82-5
2,6-dichloro-4-nitro-phenolate
- 18716-27-3
tribenzylamine; protonated form
A
- 618-80-4
2,6-dichloro-4-nitrophenol
B
- 620-40-6
tribenzylamine
| Conditions | Yield |
|---|---|
| In dimethyl sulfoxide at 20℃; Equilibrium constant; Rate constant; |
| Conditions | Yield |
|---|---|
| With water; copper(II) ion at 25℃; Rate constant; MES buffer - pH 6.3; |
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Specification
The systematic name of this chemical is 2,6-Dichloro-4-nitrophenol. With the CAS registry number 618-80-4 and EINECS registry number 210-563-6, it is also named as 4-Nitro-2,6-dichlorophenol. And the molecular formula of this chemical is C6H3Cl2NO3. It is a kind of yellow crystalline powder, and belongs to the product categories: Organic Building Blocks; Oxygen Compounds; Phenols.
The physical properties of 2,6-Dichloro-4-nitrophenol are as following: (1)ACD/LogP: 2.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.2; (4)ACD/LogD (pH 7.4): -0.13; (5)ACD/BCF (pH 5.5): 1.88; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 18.14; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.05 Å2; (13)Index of Refraction: 1.638; (14)Molar Refractivity: 44.47 cm3; (15)Molar Volume: 123.6 cm3; (16)Polarizability: 17.62×10-24cm3; (17)Surface Tension: 63.9 dyne/cm; (18)Density: 1.682 g/cm3; (19)Flash Point: 126.3 °C; (20)Enthalpy of Vaporization: 54.53 kJ/mol; (21)Boiling Point: 285.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00165 mmHg at 25°C.
Uses of 2,6-Dichloro-4-nitrophenol: It can react with pyridine-2-carboxylic acid to produce pyridine-2-carboxylic acid 2,6-dichloro-4-nitro-phenyl ester. This reaction will need reagents 1,3-dicyclohexylcarbodiimide and 4-(dimethylamino)pyridine, and the solvent CH2Cl2. The reaction time is 48 hours with ambient temperature, and the yield is about 63%.
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 swallowed. Therefore, you had better take the following instructions: 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: Clc1cc(cc(Cl)c1O)[N+]([O-])=O
(2)InChI: InChI=1/C6H3Cl2NO3/c7-4-1-3(9(11)12)2-5(8)6(4)10/h1-2,10H
(3)InChIKey: PXSGFTWBZNPNIC-UHFFFAOYAC