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| CAS No.: | 1984-65-2 |
|---|---|
| Name: | 2,6-Dichloroanisole |
| Article Data: | 12 |
| Molecular Structure: | |
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|
|
| Formula: | C7H6Cl2O |
| Molecular Weight: | 177.03 |
| Synonyms: | 2,3- Dichloro methyl phenoxide; |
| EINECS: | 217-855-2 |
| Density: | 1.289 g/cm3 |
| Melting Point: | 10-11 °C(lit.) |
| Boiling Point: | 218.194 °C at 760 mmHg |
| Flash Point: | 91.111 °C |
| Solubility: | 0.14g/L(25 oC) |
| Appearance: | Clear colourless liquid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/22-36/37/38 |
| Safety: | 23-24/25-37/39-26 |
| Transport Information: | UN 2810 |
| PSA: | 9.23000 |
| LogP: | 3.00200 |
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- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 211914-50-0N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-(2-pyridinyl)-beta-alanine ethyl ester hydrochloride
- 240444-70-62,3,5,6-Tetrafluor-4-(methoxymethyl)benzyl-2,2-dimethyl-3-(prop-1-en-1-yl)cyclopropancarboxylat
| Conditions | Yield |
|---|---|
| With N,N'-dimethylimidazolium-2-carboxylate In acetonitrile at 160℃; for 2h; Microwave irradiation; Green chemistry; | 97% |
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water at 90℃; for 0.5h; | 77% |
| With alkali |
- 124-41-4
sodium methylate
- 87-61-6
1,2,3-trichlorobenzene
A
- 1984-59-4
2,3-dichloroanisole
B
- 1984-65-2
2,6-dichloroanisole
| Conditions | Yield |
|---|---|
| In N,N,N,N,N,N-hexamethylphosphoric triamide at 120℃; for 1h; | A 46% B 25% |
| In methanol; dimethyl sulfoxide at 50.1℃; Rate constant; |
- 87-61-6
1,2,3-trichlorobenzene
A
- 87-65-0
2,6-Dichlorophenol
B
- 1984-59-4
2,3-dichloroanisole
C
- 1984-65-2
2,6-dichloroanisole
| Conditions | Yield |
|---|---|
| With potassium hydroxide; Tris(3,6-dioxaheptyl)amine at 135℃; for 2h; | A 23% B 756 g C 496 g |
- 87-40-1
2,4,6-trichloroanisole
A
- 623-12-1
4-chloromethoxybenzene
B
- 553-82-2
1,3-dichloro-4-methoxybenzene
C
- 766-51-8
2-Chloroanisole
D
- 1984-65-2
2,6-dichloroanisole
| Conditions | Yield |
|---|---|
| With (C2H5)3NH2CO2; palladium on activated charcoal In acetonitrile at 80℃; Yield given. Further byproducts given. Yields of byproduct given; |
- 100-66-3
methoxybenzene
A
- 623-12-1
4-chloromethoxybenzene
B
- 553-82-2
1,3-dichloro-4-methoxybenzene
C
- 766-51-8
2-Chloroanisole
D
- 1984-65-2
2,6-dichloroanisole
| Conditions | Yield |
|---|---|
| With chlorine at 25℃; for 2h; Product distribution; var. time; other substituted aromatic ethers; | A 61.4 % Chromat. B 0.8 % Chromat. C 15.4 % Chromat. D 0.2 % Chromat. |
- 67-56-1
methanol
- 87-61-6
1,2,3-trichlorobenzene
A
- 1984-59-4
2,3-dichloroanisole
B
- 1984-65-2
2,6-dichloroanisole
| Conditions | Yield |
|---|---|
| With potassium hydroxide; Tris(3,6-dioxaheptyl)amine at 135℃; for 2h; | A 756 g B 496 g |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: chlorine / Reaktion ueber mehrere Stufen 2: alkali View Scheme |
- 75-77-4
chloro-trimethyl-silane
- 1984-65-2
2,6-dichloroanisole
- 1221589-81-6
(4,6-dichloro-5-methoxy-1,3-phenylene)bis(trimethylsilane)
| Conditions | Yield |
|---|---|
| Stage #1: 2,6-dichloroanisole With lithium diisopropyl amide In tetrahydrofuran at -78 - -65℃; for 3h; Inert atmosphere; Stage #2: chloro-trimethyl-silane In tetrahydrofuran at -78 - -40℃; for 22.5h; Inert atmosphere; | 100% |
| Stage #1: 2,6-dichloroanisole With lithium diisopropyl amide In tetrahydrofuran at -78 - -65℃; for 3.5h; Inert atmosphere; Schlenk technique; Stage #2: chloro-trimethyl-silane In tetrahydrofuran at -75 - -65℃; for 1h; Inert atmosphere; Schlenk technique; Stage #3: chloro-trimethyl-silane Further stages; | 74% |
- 124-38-9
carbon dioxide
- 1984-65-2
2,6-dichloroanisole
A
- 37908-97-7
3,5-dichloro-4-methoxybenzoic acid
B
- 115382-33-7
2,4-dichloro-3-methoxybenzoic acid
| Conditions | Yield |
|---|---|
| Stage #1: 2,6-dichloroanisole With sec.-butyllithium In tetrahydrofuran; cyclohexane at -75℃; for 0.75h; Stage #2: carbon dioxide In tetrahydrofuran; cyclohexane at 25℃; | A n/a B 85% |
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Specification
The 2,6-Dichloroanisole, with the CAS registry number of 1984-65-2, is also known as 2,3- Dichloro methyl phenoxide. It belongs to the product categories of Anisole; Anisoles, Alkyloxy Compounds & Phenylacetates; Chlorine Compounds; Ethers; Organic Building Blocks; Oxygen Compounds. Its EINECS registry number is 217-855-2. This chemical's molecular formula is C7H6Cl2O and molecular weight is 177.03. What's more, its IUPAC name is 1,3-Dichloro-2-methoxybenzene. In addition, it must be stored in airtight containers and placed in a dry, cool place. Besides, ensure the work place is well-ventilated.
Physical properties about the 2,6-Dichloroanisole are: (1)ACD/LogP: 3.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.24; (4)ACD/LogD (pH 7.4): 3.24; (5)ACD/BCF (pH 5.5): 169.63; (6)ACD/BCF (pH 7.4): 169.63; (7)ACD/KOC (pH 5.5): 1372.42; (8)ACD/KOC (pH 7.4): 1372.42; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 42.72 cm3; (15)Molar Volume: 137.3 cm3; (16)Surface Tension: 35.6 dyne/cm; (17)Density: 1.289 g/cm3; (18)Flash Point: 91.1 °C; (19)Enthalpy of Vaporization: 43.61 kJ/mol; (20)Boiling Point: 218.2 °C at 760 mmHg; (21)Vapour Pressure: 0.188 mmHg at 25 °C.
Preparation: this chemical is prepared by reaction of Sulfuric acid dimethyl ester with 2,6-Dichloro-phenol. The reaction needs reagent NaOH and solvent H2O. The reaction time is 30 min with reaction temperature of 90 °C. The yield is about 77 %.
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Uses: it is used to produce other chemicals. For example, it is used to produce 2,6-Dichloro-phenol at 120 °C. This reaction needs reagent Sodium methoxide. Meanwhile, it needs solvent Hexamethylphosphoric acid triamide. The yield is about 33 %.
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When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. And you should avoid contacting with skin and eyes. It is harmful in contact with skin and if swallowed. During using it, wear suitable gloves and eye/face protection. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. Besides, you should avoid breathing the gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer).
You can still convert the following datas into molecular structure:
(1) SMILES:Clc1cccc(Cl)c1OC
(2) InChI:InChI=1/C7H6Cl2O/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,1H3
(3) InChIKey:KZLMCDNAVVJKPX-UHFFFAOYAU