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CAS No.: | 774-74-3 |
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Name: | 2-(2,6-DICHLOROPHENOXY)ACETYL CHLORIDE |
Article Data: | 68 |
Molecular Structure: | |
Formula: | C8H5Cl3O2 |
Molecular Weight: | 239.485 |
Synonyms: | Acetylchloride, (2,4-dichlorophenoxy)- (6CI,7CI,8CI,9CI);(2,4-Dichlorophenoxy)acetylchloride;2-(2,4-Dichlorophenyloxy)acetyl chloride; |
EINECS: | 212-268-8 |
Density: | 1.475 g/cm3 |
Boiling Point: | 296.4 °C at 760 mmHg |
Flash Point: | 126.3 °C |
PSA: | 26.30000 |
LogP: | 3.13760 |
Conditions | Yield |
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With thionyl chloride at 100℃; for 5h; Substitution; | 100% |
With thionyl chloride; N-benzyl-N,N,N-triethylammonium chloride In chloroform for 4h; Chlorination; Heating; | 85% |
With thionyl chloride at 75℃; for 2h; | 80% |
Conditions | Yield |
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Multi-step reaction with 2 steps 1: 77 percent / NaOH / H2O / 3 h / 110 - 120 °C 2: SOCl2 View Scheme | |
Multi-step reaction with 2 steps 1: 33percent aq. NaOH / 1 h / Heating 2: SOCl2 / CHCl3 / 6 h / Heating View Scheme | |
Multi-step reaction with 2 steps 1: aq. NaOH / 0.5 h / Heating 2: SOCl2 / benzene; ethyl acetate / 6 h / Heating View Scheme |
Conditions | Yield |
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Multi-step reaction with 2 steps 1.1: K2CO3; KI; PEG-600 / toluene / 1.5 h / 100 °C 1.2: 94 percent / HCl / H2O / 60 °C 2.1: 85 percent / SOCl2; benzyltriethylammonium chloride / CHCl3 / 4 h / Heating View Scheme |
Conditions | Yield |
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Multi-step reaction with 2 steps 1: ethyl acetate 2: thionyl chloride / 8 h / Heating View Scheme |
Conditions | Yield |
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Multi-step reaction with 2 steps 1: NaOH / H2O / Heating 2: SOCl2 / ethyl acetate; methanol / 7 h / Heating View Scheme |
A
2-hydroxyethyl 5-(2-chloro-4-trifluoromethyl phenoxy)-2-nitrobenzoate
B
2-(2,4-dichlorophenoxy)acetyl chloride
Conditions | Yield |
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With triethylamine In dichloromethane; ethylene glycol |
Conditions | Yield |
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Multi-step reaction with 2 steps 1: sodium hydroxide 2: thionyl chloride / Reflux View Scheme |
Conditions | Yield |
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Multi-step reaction with 2 steps 1: lithium hydroxide / methanol; water / 12 h / 50 °C 2: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 12 h / 20 °C View Scheme |
Conditions | Yield |
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With sodium hydroxide; PEG-600 In dichloromethane; water at 20℃; for 1h; Acylation; | 99% |
Conditions | Yield |
---|---|
With sodium hydroxide; PEG-600 In dichloromethane; water at 20℃; for 1h; Acylation; | 98% |
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The Acetyl chloride,2-(2,4-dichlorophenoxy)- is an organic compound with the formula C8H5Cl3O2. The IUPAC name of this chemical is 2-(2,4-dichlorophenoxy)acetyl chloride. With the CAS registry number 774-74-3, it is also named as 2,4-Dichlorophenoxyacetyl chloride.
Physical properties about Acetyl chloride,2-(2,4-dichlorophenoxy)- are: (1)ACD/LogP: 3.32; (2)ACD/LogD (pH 5.5): 3.32; (3)ACD/LogD (pH 7.4): 3.32; (4)ACD/BCF (pH 5.5): 195.7; (5)ACD/BCF (pH 7.4): 195.7; (6)ACD/KOC (pH 5.5): 1520.29; (7)ACD/KOC (pH 7.4): 1520.29; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 26.3 Å2; (11)Index of Refraction: 1.556; (12)Molar Refractivity: 52.23 cm3; (13)Molar Volume: 162.3 cm3; (14)Polarizability: 20.7×10-24cm3; (15)Surface Tension: 44.3 dyne/cm; (16)Density: 1.475 g/cm3; (17)Flash Point: 126.3 °C; (18)Enthalpy of Vaporization: 53.62 kJ/mol; (19)Boiling Point: 296.4 °C at 760 mmHg; (20)Vapour Pressure: 0.00144 mmHg at 25°C.
Preparation: this chemical can be prepared by (2,4-dichloro-phenoxy)-acetic acid. This reaction will need reagent SOCl2.
Uses of Acetyl chloride,2-(2,4-dichlorophenoxy)-: it can be used to produce N-(2-vinyloxyethyl)-2,4-dichlorophenoxyacetamide at temperature of 40 - 45 °C. It will need reagent Et3N and solvent benzene with reaction time of 30 min. The yield is about 62%.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(Cl)ccc1OCC(Cl)=O
(2)InChI: InChI=1/C8H5Cl3O2/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2
(3)InChIKey: FUJSJWRORKKPAI-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C8H5Cl3O2/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2
(5)Std. InChIKey: FUJSJWRORKKPAI-UHFFFAOYSA-N