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2976-74-1

Basic Information
CAS No.: 2976-74-1
Name: 2,3-DICHLOROPHENOXYACETIC ACID
Article Data: 11
Molecular Structure:
Molecular Structure of 2976-74-1 (2,3-DICHLOROPHENOXYACETIC ACID)
Formula: C8H6Cl2O3
Molecular Weight: 221.04
Synonyms: Aceticacid, (2,3-dichlorophenoxy)- (8CI,9CI);2,3-D;2,3-Dichlorophenoxyacetic acid;NSC 74462;
EINECS: 221-022-9
Density: 1.488 g/cm3
Melting Point: 172-175 °C
Boiling Point: 348.4 °C at 760 mmHg
Flash Point: 164.5 °C
Solubility: 342.6mg/L(25 oC)
Appearance: beige crystalline powder and needles
Hazard Symbols: IrritantXi,CorrosiveC,ToxicT,FlammableF
Risk Codes: 36/37/38-23/24/25
Safety: 37/39-26-45-36/37/39-16
PSA: 46.53000
LogP: 2.45680
Synthetic route
576-24-9

2,3-dichlorophenol

105-39-5

chloroacetic acid ethyl ester

2976-74-1

2,3-dichlorophenoxyacetic acid

Conditions
ConditionsYield
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%
576-24-9

2,3-dichlorophenol

79-11-8

chloroacetic acid

2976-74-1

2,3-dichlorophenoxyacetic acid

Conditions
ConditionsYield
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
ConditionsYield
With sodium hydroxide
105-36-2

ethyl bromoacetate

sodium-<2,3-dichloro-phenolate>

sodium-<2,3-dichloro-phenolate>

2976-74-1

2,3-dichlorophenoxyacetic acid

Conditions
ConditionsYield
With ethanol anschliessend Erwaermen mit wss. Natronlauge;
576-24-9

2,3-dichlorophenol

2976-74-1

2,3-dichlorophenoxyacetic acid

Conditions
ConditionsYield
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
ConditionsYield
alkaline hydrolysis;
Stage #1: (dichloro-2,3 phenoxy)acetate d'ethyle With sodium hydroxide
Stage #2: With hydrogenchloride
576-24-9

2,3-dichlorophenol

105-36-2

ethyl bromoacetate

2976-74-1

2,3-dichlorophenoxyacetic acid

Conditions
ConditionsYield
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;
1928-56-9

(2,3-dichlorophenoxy)-acetic acid, methyl ester

2976-74-1

2,3-dichlorophenoxyacetic acid

Conditions
ConditionsYield
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
ConditionsYield
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

3-Benzyl-7-(2,3-dichloro-phenoxymethyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

Conditions
ConditionsYield
With trichlorophosphate for 5h; Heating;86%
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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%.

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.

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