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| CAS No.: | 3260-88-6 |
|---|---|
| Name: | 3-chloro-2-methoxyanisole |
| Article Data: | 16 |
| Molecular Structure: | |
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| Formula: | C8H9ClO |
| Molecular Weight: | 156.612 |
| Synonyms: | Anisole,3-chloro-2-methyl- (7CI,8CI);2-Chloro-6-methoxytoluene;2-Methyl-3-chloroanisole;3-Chloro-2-methylanisole;6-Chloro-2-methoxytoluene; |
| EINECS: | 221-862-6 |
| Density: | 1.105 g/cm3 |
| Melting Point: | -3 °C |
| Boiling Point: | 201.9 °C at 760 mmHg |
| Flash Point: | 82.1 °C |
| Hazard Symbols: |
 Xi
|
| Transport Information: | UN 1993 3/PG 3 |
| PSA: | 9.23000 |
| LogP: | 2.65700 |
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- 852475-26-4MC1568
- 67-56-1
methanol
- 118-69-4
2,6-dichlorotoluene
- 124-41-4
sodium methylate
- 3260-88-6
1-chloro-3-methoxy-2-methylbenzene
| Conditions | Yield |
|---|---|
| Stage #1: methanol; 2,6-dichlorotoluene; sodium methylate In dimethyl sulfoxide at 160℃; for 8h; Stage #2: With polyethylene glycol 600 In dimethyl sulfoxide at 80℃; for 2h; Temperature; Reagent/catalyst; Concentration; | 95.6% |
| Conditions | Yield |
|---|---|
| With sodium hydroxide |
| Conditions | Yield |
|---|---|
| With tetrafluoroboric acid; sodium nitrite 1) water, 0 deg C to room temperature, 2) reflux; Yield given. Multistep reaction; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: Diazotization 2: NaOH-solution View Scheme | |
| Multi-step reaction with 2 steps 1: (i) (diazotization), (ii) (heating) View Scheme | |
| Multi-step reaction with 2 steps 1: (i) (diazotization), (ii) aq. H2SO4 View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: Fe, aq. HCl 2: (i) (diazotization), (ii) aq. H2SO4 View Scheme |
| Conditions | Yield |
|---|---|
| With potassium hydroxide In methanol; water | |
| With hydrogenchloride; sodium methylate; dimethyl sulfoxide In methanol |
- 21452-18-6
metsulfovax
- 3260-88-6
1-chloro-3-methoxy-2-methylbenzene
- 80-73-9
1,3-dimethyl-2-imidazolidinone
- 118-69-4
2,6-dichlorotoluene
A
- 3260-88-6
1-chloro-3-methoxy-2-methylbenzene
B
- 3260-87-5
3-chloro-o-cresol
| Conditions | Yield |
|---|---|
| With sodium methylate In methanol |
| Conditions | Yield |
|---|---|
| With sodium methylate; dimethyl sulfoxide In methanol |
| Conditions | Yield |
|---|---|
| With copper(l) cyanide In N,N-dimethyl-formamide at 110℃; Large scale; | |
| With copper(l) cyanide In N,N-dimethyl-formamide at 110℃; Reagent/catalyst; Temperature; | |
| Stage #1: 2,6-dichlorotoluene; sodium methylate In dimethyl sulfoxide at 180℃; for 2h; Stage #2: With dimethyl sulfate at 80℃; for 1.5h; Temperature; | 906.1 g |
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Specification
The CAS register number of Benzene,1-chloro-3-methoxy-2-methyl- is 3260-88-6. It also can be called as 3-Chloro-2-methylphenyl methyl ether and the IUPAC name about this chemical is 1-chloro-3-methoxy-2-methylbenzene. The molecular formula about this chemical is C8H9ClO and the molecular weight is 156.61. It belongs to the following product categories which include Anisole; Anisoles, Alkyloxy Compounds & Phenylacetates; Chlorine Compounds; Ethers; Organic Building Blocks; Oxygen Compounds and so on.
Physical properties about Benzene,1-chloro-3-methoxy-2-methyl- are: (1)ACD/LogP: 3.42; (2)ACD/LogD (pH 5.5): 3.42; (3)ACD/LogD (pH 7.4): 3.42; (4)ACD/BCF (pH 5.5): 234.28; (5)ACD/BCF (pH 7.4): 234.28; (6)ACD/KOC (pH 5.5): 1729.27; (7)ACD/KOC (pH 7.4): 1729.27; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 9.23Å2; (11)Index of Refraction: 1.514; (12)Molar Refractivity: 42.65 cm3; (13)Molar Volume: 141.6 cm3; (14)Polarizability: 16.9x10-24cm3; (15)Surface Tension: 32.2 dyne/cm; (16)Flash Point: 82.1 °C; (17)Enthalpy of Vaporization: 42.02 kJ/mol; (18)Boiling Point: 201.9 °C at 760 mmHg; (19)Vapour Pressure: 0.427 mmHg at 25°C.
Uses of Benzene,1-chloro-3-methoxy-2-methyl-: it can be used to produce 2-chloro-6-methoxybenzyl bromide at heating. This reaction will need reagent N-nromosuccinimide, benzoyl peroxide and solvent CCl4 with reaction time of 12 hours. The yield is about 80%.
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You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cccc(OC)c1C
(2)InChI: InChI=1/C8H9ClO/c1-6-7(9)4-3-5-8(6)10-2/h3-5H,1-2H3
(3)InChIKey: LTVRGAWOEOKGJZ-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C8H9ClO/c1-6-7(9)4-3-5-8(6)10-2/h3-5H,1-2H3
(5)Std. InChIKey: LTVRGAWOEOKGJZ-UHFFFAOYSA-N