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Sodium 2,4-dichlorophenoxyacetate

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Name

Sodium 2,4-dichlorophenoxyacetate

EINECS 220-290-4
CAS No. 2702-72-9 Density N/A
PSA 49.36000 LogP 1.12210
Solubility Completely soluble in water Melting Point 215 °C
Formula C8H5Cl2NaO3 Boiling Point 345.6 °C at 760 mmHg
Molecular Weight 243.022 Flash Point 162.8 °C
Transport Information UN 3077 9/PG 3 Appearance clear brown to black liquid
Safety 24/25-26-36/37/39-46-61 Risk Codes 22-41-43-51/53
Molecular Structure Molecular Structure of 2702-72-9 (Sodium 2,4-dichlorophenoxyacetate) Hazard Symbols HarmfulXn, DangerousN
Synonyms

Aceticacid, (2,4-dichlorophenoxy)-, sodium salt (8CI,9CI);2,4-D Sodium salt;2,4-Dichlorophenoxyacetic acid sodium salt;Agrion;Agrion (pesticide);Dichlordon sodium;Diconirt;Diconirt D;Dikonirt;Dikonirt D;Fernoxone;Hormit;Kar D;Pielik E;Sodium (2,4-dichlorophenoxy)acetate;Sodium 2,4-D;Sodium diclordon;Spray-Hormite;Spritz-hormit;Taficide;Tornado DF;U 46D;

Article Data 9

Sodium 2,4-dichlorophenoxyacetate Synthetic route

120-67-2

2-(2,4-dichlorophenoxy)ethanol

A

575-90-6

2,6-dichlorophenoxyacetic acid

B

2702-72-9

sodium 2,4-dichlorophenoxyacetate

Conditions
ConditionsYield
With sodium hydroxide; oxygen; bismuth(III) nitrate; palladium on activated charcoal at 90℃; for 1.5h; Title compound not separated from byproducts;A n/a
B 95%
2307-55-3

2,4-dichlorophenoxyacetic acid ammonium salt

2702-72-9

sodium 2,4-dichlorophenoxyacetate

Conditions
ConditionsYield
With sodium hydroxide
3926-62-3

sodium monochloroacetic acid

3757-76-4

sodium 2,4-dichlorophenolate

2702-72-9

sodium 2,4-dichlorophenoxyacetate

Conditions
ConditionsYield
at 80℃; Temperature;
79-11-8

chloroacetic acid

120-83-2

2,4-dichlorophenol

2702-72-9

sodium 2,4-dichlorophenoxyacetate

Conditions
ConditionsYield
Stage #1: 2,4-dichlorophenol With sodium hydroxide In water at 80℃; for 1h; Large scale;
Stage #2: chloroacetic acid With sodium hydroxide In water at 70 - 110℃; for 6h; Reagent/catalyst; Temperature; Large scale;
108-95-2

phenol

2702-72-9

sodium 2,4-dichlorophenoxyacetate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: potassium hydroxide / benzene / 0.5 h / 110 °C
2: sulfuryl dichloride; titanium tetrachloride; 3,4-dichlorothiophene / 0.5 h / 70 °C
3: sodium hydroxide / 4 h / 60 °C
View Scheme
Multi-step reaction with 3 steps
1: calcium hydroxide / toluene / 0.5 h / 80 °C
2: thionyl chloride; lead acetate; 2,3,4-trichlorothiophene / 0.5 h / 20 °C
3: sodium hydrogencarbonate / water / 2 h / 80 °C
View Scheme
Multi-step reaction with 3 steps
1: potassium hydroxide / benzene / 0.5 h / 110 °C
2: sulfuryl dichloride / 0.5 h / 100 °C
3: sodium carbonate / water / 4 h / 60 °C
View Scheme

n-decyl phenoxyacetate

2702-72-9

sodium 2,4-dichlorophenoxyacetate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: thionyl chloride; lead acetate; 2,3,4-trichlorothiophene / 0.5 h / 20 °C
2: sodium hydrogencarbonate / water / 2 h / 80 °C
View Scheme
67821-08-3

2,4-dichlorophenoxyacetic acid n-decyl ester

2702-72-9

sodium 2,4-dichlorophenoxyacetate

Conditions
ConditionsYield
With sodium hydrogencarbonate In water at 80℃; for 2h;242.67 g

n-heptyl phenoxyacetate

2702-72-9

sodium 2,4-dichlorophenoxyacetate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sulfuryl dichloride; titanium tetrachloride; 3,4-dichlorothiophene / 0.5 h / 70 °C
2: sodium hydroxide / 4 h / 60 °C
View Scheme
1917-96-0

n-heptyl 2,4-dichlorophenoxyacetate

2702-72-9

sodium 2,4-dichlorophenoxyacetate

Conditions
ConditionsYield
With sodium hydroxide at 60℃; for 4h;241.32 g
94-75-7

2,4-Dichlorophenoxyacetic acid

2702-72-9

sodium 2,4-dichlorophenoxyacetate

Conditions
ConditionsYield
With sodium hydrogencarbonate for 0.5h;

Sodium 2,4-dichlorophenoxyacetate Specification

The Sodium-2,4-dichlorophenoxyacetate, with the CAS registry number 2702-72-9, is also known as 2,4-Dichlorophenoxyacetic acid sodium salt. It belongs to the product categories of Pharmaceutical Raw Materials;Auxins; Biochemistry; Plant Growth Regulators. Its EINECS registry number is 220-290-4. Its systematic name is called sodium (2,4-dichlorophenoxy)acetate. This chemical's classification codes are Agricultural Chemical; Herbicide; Human Data; Mutation data; Reproductive Effect. It is clear brown to black liquid. The product should be sealed and stored in cool and dry place. In addition, this chemical can be used as agricultural herbicides and plant growth regulators.

Physical properties of Sodium-2,4-dichlorophenoxyacetate: (1)ACD/LogP: 2.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Flash Point: 162.8 °C; (13)Melting Point: 215°C; (14)Enthalpy of Vaporization: 62.24 kJ/mol; (15)Boiling Point: 345.6 °C at 760 mmHg; (16)Vapour Pressure: 2.31E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical that may cause damage to health and may present an immediate or delayed danger to one or more components of the environment. It is harmful if swallowed. There will be a risk of serious damage to eyes when concat it. This chemical may cause sensitisation by skin contact. It is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Avoid contact with skin and eyes. You should avoid contact with skin and eyes. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. If swallowed, you should seek medical advice immediately and show this container or label. In addition, you should avoid releasing it to the environment. When use it, please refer to special instructions/safety data sheet.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].Clc1cc(Cl)ccc1OCC([O-])=O
(2)InChI: InChI=1/C8H6Cl2O3.Na/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;/h1-3H,4H2,(H,11,12);/q;+1/p-1
(3)InChIKey: RFOHRSIAXQACDB-REWHXWOFAE

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 intraperitoneal 666mg/kg (666mg/kg) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE

BEHAVIORAL: ATAXIA

BEHAVIORAL: COMA
Archives of Environmental Health. Vol. 7, Pg. 202, 1963.
guinea pig LD50 oral 1gm/kg (1000mg/kg) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE

BEHAVIORAL: ATAXIA

BEHAVIORAL: COMA
Journal of Industrial Hygiene and Toxicology. Vol. 29, Pg. 85, 1947.
man TCLo inhalation 23mg/m3/3Y-I (23mg/m3) BEHAVIORAL: ANOREXIA (HUMAN

GASTROINTESTINAL: OTHER CHANGES

LIVER: OTHER CHANGES
Hygiene and Sanitation Vol. 31(7-9), Pg. 383, 1966.
mouse LD50 intraperitoneal 375mg/kg (375mg/kg) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE

BEHAVIORAL: ATAXIA

BEHAVIORAL: COMA
Journal of Industrial Hygiene and Toxicology. Vol. 29, Pg. 85, 1947.
mouse LD50 oral 375mg/kg (375mg/kg) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE

BEHAVIORAL: ATAXIA

BEHAVIORAL: COMA
Journal of Industrial Hygiene and Toxicology. Vol. 29, Pg. 85, 1947.
mouse LD50 subcutaneous 280mg/kg (280mg/kg) BEHAVIORAL: STIFFNESS

BEHAVIORAL: COMA
Archives of Environmental Health. Vol. 7, Pg. 202, 1963.
rabbit LD50 intraperitoneal 400mg/kg (400mg/kg) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE

BEHAVIORAL: COMA

BEHAVIORAL: ATAXIA
Journal of Industrial Hygiene and Toxicology. Vol. 29, Pg. 85, 1947.
rabbit LD50 intravenous 400mg/kg (400mg/kg) CARDIAC: EKG CHANGES NOT DIAGNOSTIC OF ABOVE Journal of Industrial Hygiene and Toxicology. Vol. 29, Pg. 85, 1947.
rabbit LD50 oral 800mg/kg (800mg/kg) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE

BEHAVIORAL: ATAXIA

BEHAVIORAL: COMA
Journal of Industrial Hygiene and Toxicology. Vol. 29, Pg. 85, 1947.
rabbit LD50 skin > 2gm/kg (2000mg/kg)   Fundamental and Applied Toxicology. Vol. 9, Pg. 423, 1987.
rat LD50 intraperitoneal 424mg/kg (424mg/kg)   Bromatologia i Chemia Toksykologiczna. Vol. 14, Pg. 17, 1981.
rat LD50 oral 555mg/kg (555mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 17(3), Pg. 35, 1973.
rat LD50 skin 1500mg/kg (1500mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 544, 1986.

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