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Your Location：Home>Product Center >> Pesticide API and intermediates >> Dimethomorph
  • Dimethomorph
Name:Dimethomorph
CAS No:110488-70-5

PRODUCT DESCRIPTION

【Name】
dimethomorph
【Iupac name】
(E)-3-(4-chlorophenyl)-3-(3,
4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one
【CAS Registry number】
110488-70-5
【Synonyms】
Dimethomorph{(E,Z)-4-[3-(4-Chlorophenyl)-3-(3,4-Dimethoxphenyl)Acryloy]Morpholine
4-[3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl]morpholine
Dimethoroph
E,Z-4-[3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl) acryloyl] morpholine
【EINECS(EC#)】
404-200-2
【Molecular Formula】
C21H22ClNO4 (Products with the same molecular formula)
【Molecular Weight】
387.86
【Inchi】
InChI=1/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14-
【Canonical SMILES】
COC1=C(C=C(C=C1)C(=CC(=O)N2CCOCC2)C3=CC=C(C=C3)Cl)OC
【Isomers smiles】
COC1=C(C=C(C=C1)/C(=C/C(=O)N2CCOCC2)/C3=CC=C(C=C3)Cl)OC
【MOL File】
110488-70-5.mol

Chemical and Physical Properties

【Density】
1.231g/cm3
【Melting Point】
125-149℃
【Boiling Point】
584.9°Cat760mmHg
【Vapour】
1.15E-13mmHg at 25°C
【Refractive Index】
1.58
【Flash Point】
307.5°C
【Solubilities】
Insoluble
【Color/Form】
Colorless crystals.
【Stability】
Stable at normal temperatures and pressures.
【Storage temp】
0-6°C
【Computed Properties】
Molecular Weight:387.85668 [g/mol]
Molecular Formula:C21H22ClNO4
XLogP3-AA:3.9
H-Bond Donor:0
H-Bond Acceptor:4
Rotatable Bond Count:5
Exact Mass:387.123736
MonoIsotopic Mass:387.123736
Topological Polar Surface Area:48
Heavy Atom Count:27
Formal Charge:0
Complexity:512
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:1
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:4
Feature 3D Ring Count:3
Effective Rotor Count:7.2
Conformer Sampling RMSD:0.8
CID Conformer Count:34

Safety and Handling

【Hazard Codes】
N:Dangerousfortheenvironment;
【Risk Statements】
R51/53
【Safety Statements 】
S61
【HazardClass】
9
【Safety】

Safty information about Dimethomorph (CAS NO.110488-70-5) is:
Hazard Codes:?DangerousN 
Risk Statements: 51/53?
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. 
Safety Statements: 61?
S61:Avoid release to the environment. Refer to special instructions / safety data sheets. 
RIDADR: UN3077 9/PG 3 
RTECS: QE0478300

【PackingGroup 】
III
【Transport】
UN3077 9/PG 3
【Formulations/Preparations】
Formulation types: Dispersible concentrate; Wettable powder; Water dispersible granules
Composition: (E) isomer to (Z) isomer ratio is 1:1.
(Dimethomorph +) mancozeb; dithianon; copper compounds; fentin hydroxide
【Specification】

?Dimethomorph , its cas register number is 110488-70-5. It also can be called 2-Propen-1-one,3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(4-morpholinyl)- ;?4-(3-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)morpholine ; Morpholine, 3-(3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)- ; Morpholine, 4-(3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)- .

【Octanol/Water Partition Coefficient】
log Kow= 2.68
【Disposal Methods】
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Use and Manufacturing

【Usage】

Major uses include fungicide effective against oomycetes, especially peronosporaceae and phytophthora spp. (But not pythium spp.) In vines, potatoes and tomatoes. Used in combination with fungicides (dithianon, mancozeb or copper compounds). Fungicide.

Environmental Fate and Exposure Potential

【Environmental Fate/Exposure Summary】
TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 684(SRC), determined from a log Kow of 2.68(2) and a regression-derived equation(3), indicates that dimethomorph is expected to have low mobility in soil(SRC). Volatilization of dimethomorph from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 1.0X10-15 atm-cu m/mole(SRC), using a fragment constant estimation method(4). Dimethomorph is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 7.3X10-6 mm Hg(2).
AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 684(SRC), determined from a log Kow of 2.68(2) and a regression-derived equation(3), indicates that dimethomorph is expected to adsorb to suspended solids and sediment in water(SRC). Volatilization from water surfaces is not expected(3) based upon an estimated Henry's Law constant of 1.0X10-15 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). According to a classification scheme(5), an estimated BCF of 23(SRC), from its log Kow(2) and a regression-derived equation(6), suggests the potential for bioconcentration in aquatic organisms is low.
ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), dimethomorph, which has a vapor pressure of 7.3X10-6 mm Hg at 25 deg C(2), is expected to exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase dimethomorph is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals and ozone molecules(SRC). The half-life for the reaction with hydroxyl radicals in air is estimated to be 4 hours(SRC), from its rate constant of 1.1X10-10 cu cm/molecule-sec at 25 deg C(3). The half-life for the reaction with ozone is estimated to be 1 hour(SRC), from its estimated rate constant of 2.5X10-16 cu cm/molecule-sec at 25 deg C(4). Particulate-phase dimethomorph may be removed from the air by wet and dry deposition(SRC). Dimethomorph absorbs light greater than 290 nm and may undergo direct photolysis in the environment(SRC), but the kinetics of this reaction are unknown.

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