CAS No.35554-44-0,Imazalil Suppliers

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Basic Information

Molecular Structure:
CAS No.:	35554-44-0
Name:	Imazalil
Article Data:	6
Cas Database

Formula:	C₁₄H₁₄Cl₂N₂O
Molecular Weight:	297.184
Synonyms:	Enilconazole;CGA 41333;1H-Imidazole,1-[2-(2,4-dichlorophenyl)-2- (2-propenyloxy)ethyl]-;Deccozil S 75;1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxy-ethyl]imidazole nitrate;1-[20(2,4-dichlorophenyl)-2-(2-propenyloxy)ethyl]-1H-imidazole;lmazalil;1-[2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole;(±)-l-[2-(2,4-dichlorophenyl)-2-(2-propenyloxy)ethyl]-l H-imidazole;
EINECS:	252-615-0
Density:	1.23 g/cm³
Melting Point:	52.7 °C
Boiling Point:	448.5 °C at 760 mmHg
Flash Point:	225.1 °C
Solubility:	0.018 g/100 mL in water
Appearance:	slightly yellow to brown solidified oil
Hazard Symbols:	Xn, N
Risk Codes:	20/22-41-50/53
Safety:	26-39-60-61
Transport Information:	UN 2588
PSA:	27.05000
LogP:	4.13380

Related products

Synthetic route

: 24155-42-8
1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethan-1-ol

: 107-05-1
3-chloroprop-1-ene

: 35554-44-0
1-[2-(2,4-dichlorophenyl)-2-(2-propenyloxy)ethyl]-1H-imidazole

Conditions

Conditions	Yield
Stage #1: 1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethan-1-ol With potassium hydroxide In water; dimethyl sulfoxide at 20℃; for 1h; Stage #2: 3-chloroprop-1-ene In water; dimethyl sulfoxide at 30℃; for 3h; Solvent; Temperature;	95.6%
Stage #1: 1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethan-1-ol With potassium hydroxide In water; dimethyl sulfoxide at 20 - 35℃; for 1h; Stage #2: 3-chloroprop-1-ene In water; dimethyl sulfoxide at 35 - 40℃; Reagent/catalyst;	68%

: 288-32-4
1H-imidazole

: 107-05-1
3-chloroprop-1-ene

: 4252-78-2
2,2',4'-trichloroacetophenone

: 35554-44-0
1-[2-(2,4-dichlorophenyl)-2-(2-propenyloxy)ethyl]-1H-imidazole

Conditions

Conditions	Yield
Stage #1: 2,2',4'-trichloroacetophenone With tris(triphenylphosphine)ruthenium(II) chloride; acetic acid; triethylamine at 70℃; for 9h; Stage #2: 1H-imidazole With N,N-dimethyl acetamide; sodium hydroxide at 50 - 100℃; for 5h; Stage #3: 3-chloroprop-1-ene at 105℃; for 6h; Reagent/catalyst; Solvent;	64.4%

...Expand

: 106-95-6
allyl bromide

: 24155-42-8
1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethan-1-ol

: 35554-44-0
1-[2-(2,4-dichlorophenyl)-2-(2-propenyloxy)ethyl]-1H-imidazole

Conditions

Conditions	Yield
With sodium hydride In N,N-dimethyl-formamide	17%

: 24155-42-8
1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethan-1-ol

allyl halide: allyl halide

: 35554-44-0
1-[2-(2,4-dichlorophenyl)-2-(2-propenyloxy)ethyl]-1H-imidazole

Conditions

Conditions	Yield
With sodium hydride In N,N-dimethyl-formamide at 20℃; for 0.5h;

: 74-93-1
methylthiol

: 35554-44-0
1-[2-(2,4-dichlorophenyl)-2-(2-propenyloxy)ethyl]-1H-imidazole

: 1-(2-(2,4-dichlorophenyl)-2-(3-(methylthio)propoxy)ethyl)-1H-imidazole

Conditions

Conditions	Yield
With C38H28Au2F12FeN2O8P2S4 In 1,4-dioxane at 45℃; for 20h; Inert atmosphere; Glovebox; Sealed tube;	99%

: 94-99-5
2,4-Dichlorobenzyl chloride

: 35554-44-0
1-[2-(2,4-dichlorophenyl)-2-(2-propenyloxy)ethyl]-1H-imidazole

: 1-[β-(Allyloxy)-2,4-dichlorophenethyl]-3-(2,4-dichlorobenzyl)imidazolium chloride hydrate

2-chloroaceto-p-fluoroanilide: 2-chloroaceto-p-fluoroanilide

: 35554-44-0
1-[2-(2,4-dichlorophenyl)-2-(2-propenyloxy)ethyl]-1H-imidazole

: 57265-11-9
1-[β-(Allyloxy)-2,4-dichlorophenethyl]-3-[N-(p-fluorophenyl)-carbamoylmethyl]imidazolium chloride

: 35554-44-0
1-[2-(2,4-dichlorophenyl)-2-(2-propenyloxy)ethyl]-1H-imidazole

: (+)-imazalil

: (-)-imazalil

Conditions

Conditions	Yield
With Lux Cellulose-2 (cellulose tris-(3-chloro-4-methylphenylcarbamate) In hexane; isopropyl alcohol at 20℃; Thermodynamic data; Reagent/catalyst; Temperature; Resolution of racemate;

: 35554-44-0
1-[2-(2,4-dichlorophenyl)-2-(2-propenyloxy)ethyl]-1H-imidazole

A: 166734-82-3
S-(+)-imazalil

B: 166734-81-2
R-(−)-imazalil

Conditions

Conditions	Yield
With CHIRALCEL OJ column (10 µm; 250*4.6 mm) In methanol; ethanol; hexane Solvent; Resolution of racemate;

: 2-(aminooxy)acetic acid hemihydrochloride

: 35554-44-0
1-[2-(2,4-dichlorophenyl)-2-(2-propenyloxy)ethyl]-1H-imidazole

: imazalil hapten

Conditions

Conditions	Yield
Stage #1: 1-[2-(2,4-dichlorophenyl)-2-(2-propenyloxy)ethyl]-1H-imidazole With potassium permanganate; sodium periodate In 1,4-dioxane at 20℃; for 4h; Stage #2: 2-(aminooxy)acetic acid hemihydrochloride In 1,4-dioxane at 60℃; for 24h;

Raw Materials

24155-42-8

106-95-6

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Specification

The IUPAC name of Fungaflor is 1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole. With the CAS registry number 35554-44-0, it is also named as Enilconazole. The classification codes are Agricultural Chemical; Antifungal; Drug / Therapeutic Agent; Fungicide; Fungicide, bactericide, wood preservative; Fungicides, industrial; Pesticides; Reproductive Effect; Skin / Eye Irritant. It is slightly yellow to brown solidified oil which is soluble in ethanol, methanol, benzene, xylene, heptane, hexane, petroleum ether and other organic solvents. Besides, this chemccal is highly toxic and flammable. When heated to decomposition it emits toxic fumes of Cl⁻ and NO_x. So the storage environment should be well- ventilated, low-temperature and dry. Keep Fungaflor separate from raw materials of food.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.33; (4)ACD/LogD (pH 7.4): 3.49; (5)ACD/BCF (pH 5.5): 17.36; (6)ACD/BCF (pH 7.4): 251.91; (7)ACD/KOC (pH 5.5): 118.56; (8)ACD/KOC (pH 7.4): 1720.44; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.573; (13)Molar Refractivity: 79.38 cm³; (14)Molar Volume: 240.7 cm³; (15)Polarizability: 31.46×10^-24 cm³; (16)Surface Tension: 40.8 dyne/cm; (17)Enthalpy of Vaporization: 67.99 kJ/mol; (18)Vapour Pressure: 8.16E-08 mmHg at 25°C; (19)Rotatable Bond Count: 6; (20)Exact Mass: 296.048319; (21)MonoIsotopic Mass: 296.048319; (22)Topological Polar Surface Area: 27; (23)Complexity: 291.

Preparation of Fungaflor: It can be obtained by the following method:

Uses of Fungaflor: It is a fungicide widely used in agriculture, particularly in the growing of citrus fruits. It is also used in veterinary medicine as a topical antimycotic.

When you are using this chemical, please be cautious about it as the following:
It is not only harmful by inhalation and if swallowed, but also very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. What's more, it has risk of serious damage to the eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear eye / face protection. This material and its container must be disposed of as hazardous waste. Avoid release to the environment. Refer to special instructions / safety data sheets.

People can use the following data to convert to the molecule structure.
1. SMILES:Clc1ccc(c(Cl)c1)C(OC\C=C)Cn2ccnc2
2. InChI:InChI=1/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2
3. InChIKey:PZBPKYOVPCNPJY-UHFFFAOYAI

The following are the toxicity data which has been tested.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LD50	oral	> 640mg/kg (640mg/kg)	GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	Arzneimittel-Forschung. Drug Research. Vol. 31, Pg. 309, 1981.
rabbit	LD50	skin	4200mg/kg (4200mg/kg)		"Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A230, Pg. 1983,
rat	LC50	inhalation	16gm/m³/4H (16000mg/m³)		Pesticide Manual. Vol. 9, Pg. 482, 1991.
rat	LD50	intraperitoneal	155mg/kg (155mg/kg)	BEHAVIORAL: MUSCLE WEAKNESS SKIN AND APPENDAGES (SKIN): HAIR: OTHER BEHAVIORAL: ATAXIA	Arzneimittel-Forschung. Drug Research. Vol. 31, Pg. 309, 1981.
rat	LD50	oral	227mg/kg (227mg/kg)	BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: ATAXIA SKIN AND APPENDAGES (SKIN): HAIR: OTHER	Arzneimittel-Forschung. Drug Research. Vol. 31, Pg. 309, 1981.
rat	LD50	skin	4200mg/kg (4200mg/kg)		Pesticide Manual. Vol. 9, Pg. 482, 1991.