CAS No.94-80-4,2-(2,4-Dichlorophenoxy)butylacetate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	94-80-4
Name:	2-(2,4-Dichlorophenoxy)butylacetate

Formula:	C₁₂H₁₄Cl₂O₃
Molecular Weight:	277.147
Synonyms:	Aceticacid, (2,4-dichlorophenoxy)-, butyl ester (6CI,8CI,9CI);2,4-DBE;2,4-Dichlorophenoxyacetic acid n-butyl ester;Butapon;Butyl 2,4-D;Butyl dichlorophenoxyacetate;EssoHerbicide 10;Esteron 400BR;Fernesta;Hi-Ester 2,4-D;Lironox;NSC 409767;
EINECS:	202-364-8
Density:	1.24 g/cm³
Melting Point:	9oC
Boiling Point:	343.9 °C at 760 mmHg
Flash Point:	132 °C
Solubility:	<0.1 g/100 mL at 21 °C
Appearance:	clear colorless to light brown liquid
Hazard Symbols:	Xn,N
Risk Codes:	22-43-50/53
Safety:	26-29-36/37-46-60-61
Transport Information:	UN 3082
PSA:	35.53000
LogP:	3.71550

Synthetic route

: 18991-98-5
n-butyl bromoacetate

: 120-83-2
2,4-dichlorophenol

: 94-80-4
Fernesta

Conditions

Conditions	Yield
With potassium fluoride; potassium iodide In 1,2-dimethoxyethane at 120℃; for 24h;	99.2%

: 590-02-3
butyl chloroacetate

: 120-83-2
2,4-dichlorophenol

: 94-80-4
Fernesta

Conditions

Conditions	Yield
With potassium fluoride; potassium iodide at 120℃; for 24h;	99%
Stage #1: 2,4-dichlorophenol With sodium hydroxide In toluene at 110℃; for 2h; Stage #2: butyl chloroacetate at 110℃; for 1.5h;	97.9%
Stage #1: 2,4-dichlorophenol With potassium hydroxide In water at 90℃; Stage #2: butyl chloroacetate With N,N-dimethyl-formamide In water at 150℃; for 0.5h; Reagent/catalyst; Temperature;

: 1928-38-7
methyl 2,4-dichlorophenoxyacetate

: 71-36-3
butan-1-ol

: 94-80-4
Fernesta

Conditions

Conditions	Yield
With SQD-65 at 80℃; for 4h;	98.62%

: 590-02-3
butyl chloroacetate

: 3757-76-4
sodium 2,4-dichlorophenolate

: 94-80-4
Fernesta

Conditions

Conditions	Yield
for 3h;
for 4h; Large scale;
at 120℃; for 3h;
at 120℃; for 3h;

: 18991-98-5
n-butyl bromoacetate

: 3757-76-4
sodium 2,4-dichlorophenolate

: 94-80-4
Fernesta

Conditions

Conditions	Yield
for 3h;

: 94-80-4
Fernesta

: 94-75-7
2,4-Dichlorophenoxyacetic acid

Conditions

Conditions	Yield
With water; sodium hydroxide for 0.5h; Reflux;	99.3%
With toluene-4-sulfonic acid In water; butan-1-ol at 120℃; for 2h;	99.3%
Stage #1: Fernesta With sodium hydroxide at 100℃; for 23h; Stage #2: With sulfuric acid	2200 kg

: 75-21-8
oxirane

: 94-80-4
Fernesta

: 75-50-3
trimethylamine

: 2,4-dichlorophenoxyacetic acid choline

Conditions

Conditions	Yield
at 60℃; for 5h;

...Expand

: 1653-40-3
6-methylheptanol

: 94-80-4
Fernesta

: 3035-67-4
2,4-dichlorophenoxyacetic acid isooctyl ester

Conditions

Conditions	Yield
With macroporous styrene strong basic anion exchange resin D201OH at 120℃; for 4h;	330.87 g

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Consensus Reports

IARC Cancer Review: Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 15 (1977),p. 111.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210)

Specification

The Butyl dichlorophenoxyacetate, with the CAS registry number 94-80-4, is also known as Acetic acid, 2-(2,4-dichlorophenoxy)-, butyl ester. It belongs to the product categories of Pharmaceutical Raw Materials; Herbicide; Phenoxy structure Method Specific; 2000/60/EC; Alphabetic; B; BI-BZEnvironmental Standards; European Community: ISO and DIN; Herbicides; MetabolitesPesticides&Metabolites; Pesticides&Metabolites. Its EINECS registry number is 202-364-8. Its IUPAC name is called butyl 2-(2,4-dichlorophenoxy)acetate. This chemical's classification codes are Agricultural Chemical; Growth regulator / Fertilizer; Herbicide; Reproductive Effect; Tumor data. The storage store of this chemical should close containers in a cool, dry, well-ventilated area and avoid exposure to direct sunlight.

Physical properties of Butyl dichlorophenoxyacetate: (1)ACD/LogP: 4.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.25; (4)ACD/LogD (pH 7.4): 4.25; (5)ACD/BCF (pH 5.5): 994.57; (6)ACD/BCF (pH 7.4): 994.57; (7)ACD/KOC (pH 5.5): 4867.53; (8)ACD/KOC (pH 7.4): 4867.53; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Index of Refraction: 1.517; (13)Molar Refractivity: 67.66 cm³; (14)Molar Volume: 223.3 cm³; (15)Surface Tension: 39.3 dyne/cm; (16)Density: 1.24 g/cm³; (17)Flash Point: 132 °C; (18)Enthalpy of Vaporization: 58.78 kJ/mol; (19)Boiling Point: 343.9 °C at 760 mmHg; (20)Vapour Pressure: 6.81E-05 mmHg at 25°C.

Preparation: First, the chlorination of phenol can generate 2,4 - dichlorophenol. Then, it neutralizes with the alkaline solution and react with sodium chloroacetate, the product is 2,4-D sodium salt.Finally, it then proceed esterification with the alcohol. At last, it will generate Butyl dichlorophenoxyacetate.

Uses of Butyl dichlorophenoxyacetate: It can be used as agricultural herbicides. It also can be used as broad spectrum, hormone-type herbicides which has a good systemic pesticide. Typically used for paddy and wheat fields, main use it to prevent and kill off formulations gramineous crop field of dicotyledonous weeds, heterosexual sally families and some malignant weeds such as Monochoria grass, Potamogeton, small triangular grass, Polygonum, Alopecurus, ragweed, wild amaranth, quinoa and so on.

When you are using this chemical, please be cautious about it as the following:
This chemical 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. In addition, it may cause sensitisation by skin contact. This chemical is very toxic to aquatic organisms which may cause long-term adverse effects in the aquatic environment. 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 and gloves. If swallowed, you must seek medical advice immediately and show this container or label. This material and its container must be disposed of as hazardous waste. What's more, you should avoid releasing it to the environment. When you will use it, please refer to special instructions/safety data sheet.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl
(2)InChI: InChI=1S/C12H14Cl2O3/c1-2-3-6-16-12(15)8-17-11-5-4-9(13)7-10(11)14/h4-5,7H,2-3,6,8H2,1H3
(3)InChIKey: UQMRAFJOBWOFNS-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
cat	LD50	oral	780mg/kg (780mg/kg)	"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 29, 1982.
mouse	LD50	oral	425mg/kg (425mg/kg)	"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 29, 1982.
mouse	LD50	unreported	380mg/kg (380mg/kg)	Hygiene and Sanitation Vol. 31(7-9), Pg. 383, 1966.
rabbit	LD50	skin	> 2gm/kg (2000mg/kg)	Fundamental and Applied Toxicology. Vol. 9, Pg. 423, 1987.
rat	LD50	oral	600mg/kg (600mg/kg)	Fundamental and Applied Toxicology. Vol. 9, Pg. 423, 1987.
rat	LD50	unreported	920mg/kg (920mg/kg)	Hygiene and Sanitation Vol. 31(7-9), Pg. 383, 1966.