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Cas Database |
| Name |
Acetic acid,2-(2,3-dichlorophenoxy)- |
EINECS | 221-022-9 |
| CAS No. | 2976-74-1 | Density | 1.488 g/cm3 |
| PSA | 46.53000 | LogP | 2.45680 |
| Solubility | 342.6mg/L(25 oC) | Melting Point |
172-175 °C |
| Formula | C8H6Cl2O3 | Boiling Point | 348.4 °C at 760 mmHg |
| Molecular Weight | 221.04 | Flash Point | 164.5 °C |
| Transport Information | N/A | Appearance | beige crystalline powder and needles |
| Safety | 37/39-26-45-36/37/39-16 | Risk Codes | 36/37/38-23/24/25 |
| Molecular Structure |
|
Hazard Symbols |
 Xi, C, T, F
|
| Synonyms |
Aceticacid, (2,3-dichlorophenoxy)- (8CI,9CI);2,3-D;2,3-Dichlorophenoxyacetic acid;NSC 74462; |
Article Data | 11 |
Acetic acid,2-(2,3-dichlorophenoxy)- Synthetic route
- 576-24-9
2,3-dichlorophenol
- 105-39-5
chloroacetic acid ethyl ester
- 2976-74-1
2,3-dichlorophenoxyacetic acid
| Conditions | Yield |
|---|---|
| Stage #1: 2,3-dichlorophenol; chloroacetic acid ethyl ester With potassium carbonate; potassium iodide In water; N,N-dimethyl-formamide at 100℃; for 0.0666667h; Microwave irradiation; Stage #2: With sodium hydroxide for 0.0833333h; Microwave irradiation; | 91% |
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water at 110 - 120℃; for 3h; | 77% |
| With sodium hydroxide Alkylation; Heating; | |
| With sodium hydroxide |
- 67526-49-2
(2,3-dichloro-phenoxy)-acetic acid amide
- 2976-74-1
2,3-dichlorophenoxyacetic acid
| Conditions | Yield |
|---|---|
| With sodium hydroxide |
| Conditions | Yield |
|---|---|
| With ethanol anschliessend Erwaermen mit wss. Natronlauge; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: aq. NaOH solution; isopropyl alcohol 2: aq. NaOH solution View Scheme | |
| Multi-step reaction with 2 steps 1: potassium carbonate / dimethyl sulfoxide 2: sodium hydroxide View Scheme | |
| Multi-step reaction with 2 steps 1.1: potassium carbonate / N,N-dimethyl-formamide / 1 h / 50 °C 1.2: 12 h / 50 °C 2.1: lithium hydroxide / methanol; water / 12 h / 50 °C View Scheme |
- 37536-92-8
(dichloro-2,3 phenoxy)acetate d'ethyle
- 2976-74-1
2,3-dichlorophenoxyacetic acid
| Conditions | Yield |
|---|---|
| alkaline hydrolysis; | |
| Stage #1: (dichloro-2,3 phenoxy)acetate d'ethyle With sodium hydroxide Stage #2: With hydrogenchloride |
| Conditions | Yield |
|---|---|
| Stage #1: 2,3-dichlorophenol; ethyl bromoacetate With potassium carbonate In dimethyl sulfoxide at 50℃; for 6h; Stage #2: With water; sodium hydroxide In acetone at 50℃; for 3h; Stage #3: With hydrogenchloride In water at 25℃; pH=1 - 2; |
| Conditions | Yield |
|---|---|
| With lithium hydroxide In methanol; water at 50℃; for 12h; |
- 2976-74-1
2,3-dichlorophenoxyacetic acid
- 7689-03-4
camptothecin
- 401478-45-3
camptothecin-20-O-2,3-dichlorophenoxyacetate
| Conditions | Yield |
|---|---|
| With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 20h; | 86.5% |
- 2976-74-1
2,3-dichlorophenoxyacetic acid
- 22278-80-4
4-amino-6-benzyl-3-mercapto-1,2,4-triazine-5(4H)-one
| Conditions | Yield |
|---|---|
| With trichlorophosphate for 5h; Heating; | 86% |
Acetic acid,2-(2,3-dichlorophenoxy)- Specification
The Acetic acid,2-(2,3-dichlorophenoxy)-, with the CAS registry number 2976-74-1, is also known as 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-Icosafluoroundecan-1-ol. It belongs to the product category of Phenoxyacetic Acids and Alcohols (substituted). Its EINECS registry number is 221-022-9. This chemical's molecular formula is C8H6Cl2O3 and molecular weight is 221.03744. Its IUPAC name is called 2-(2,3-dichlorophenoxy)acetic acid. What's more. it should be sealed and stored in cool, dry place.
Physical properties of Acetic acid,2-(2,3-dichlorophenoxy)-: (1)ACD/LogP: 2.59; (2)ACD/LogD (pH 5.5): 0.08; (3)ACD/LogD (pH 7.4): -1.08; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.88; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.572; (12)Molar Refractivity: 48.91 cm3; (13)Molar Volume: 148.4 cm3; (14)Surface Tension: 51.2 dyne/cm; (15)Density: 1.488 g/cm3; (16)Flash Point: 164.5 °C; (17)Enthalpy of Vaporization: 62.56 kJ/mol; (18)Boiling Point: 348.4 °C at 760 mmHg; (19)Vapour Pressure: 1.9E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by 2,3-dichloro-phenol and chloroacetic acid. This reaction will need reagent NaOH and solvent H2O. The reaction time is 3 hours with reaction temperature of 110 - 120 °C. The yield is about 77%.
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Uses of Acetic acid,2-(2,3-dichlorophenoxy)-: it can be used to produce 7-(2,3-dichloro-phenoxymethyl)-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one by heating. This reaction is a kind of Condensation//Cyclization. It will need reagent POCl3 with reaction time of 5 hours. The yield is about 78%. This chemical is beige crystalline powder and needles.
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When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C(=C1)Cl)Cl)OCC(=O)O
(2)InChI: InChI=1S/C8H6Cl2O3/c9-5-2-1-3-6(8(5)10)13-4-7(11)12/h1-3H,4H2,(H,11,12)
(3)InChIKey: RBJIGQRZLITQJG-UHFFFAOYSA-N
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