CAS No.110488-70-5,Dimethomorph Suppliers

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Basic Information

Molecular Structure:
CAS No.:	110488-70-5
Name:	Dimethomorph
Article Data:	14

Formula:	C₂₁H₂₂ClNO₄
Molecular Weight:	387.863
Synonyms:	Morpholine,4-[3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl]- (9CI);Acrobat;CME 151;4-(3-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)morpholine;Festival C;Forum;4-[3-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)acryloyl]morpholine;Dimethomorph;
EINECS:	404-200-2
Density:	1.231 g/cm³
Melting Point:	125-149 °C
Boiling Point:	584.899 °C at 760 mmHg
Flash Point:	307.536 °C
Solubility:	50 mg l-1 (20-23 °C)
Appearance:	Off-White Solid
Hazard Symbols:	N
Risk Codes:	51/53
Safety:	61
PSA:	48.00000
LogP:	3.58560

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Uses

Agricultural fungicide.

Toxicity Data With Reference

Toxicity

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
duck	LD50	oral	> 2gm/kg (2000mg/kg)	Pesticide Manual. Vol. 9, Pg. 296, 1991.
mammal (species unspecified)	LC50	inhalation	> 4200mg/m3 (4200mg/m3)	Pesticide Manual. Vol. 9, Pg. 296, 1991.
mouse	LD50	oral	> 5gm/kg (5000mg/kg)	Pesticide Manual. Vol. 9, Pg. 296, 1991.
rat	LD50	oral	3900mg/kg (3900mg/kg)	Pesticide Manual. Vol. 9, Pg. 296, 1991.
rat	LD50	skin	> 2gm/kg (2000mg/kg)	Pesticide Manual. Vol. 9, Pg. 296, 1991.

Safety Profile

Safety Info
RTECS:	QE0478300
Safety Statements:	S61
Packing Group:	III
RIDADR:	UN3077 9/PG 3
Risk Statements:	R51/53
Hazard Codes:	N

Specification

The Dimethomorph, with the CAS registry number 110488-70-5, is also known as 4-[3-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)acryloyl]morpholine. It belongs to the product categories of Insecticide; Alpha sort; D; DAlphabetic; DID - DINPesticides; Fungicides; Morpholines; Pesticides & Metabolites; Agro-Products; Aromatics; Heterocycles. Its EINECS number is 404-200-2. This chemical's molecular formula is C₂₁H₂₂ClNO₄ and molecular weight is 387.86. What's more, its systematic name is 3-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(4-morpholinyl)-2-propen-1-one. Its classification codes are: (1)Agricultural Chemical; (2)Fungicide; (3)Fungicide, bactericide, wood preservative. This chemical is a kind of agricultural fungicide. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from strong oxidants.

Physical properties of Dimethomorph are: (1)ACD/LogP: 2.379; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.38; (4)ACD/LogD (pH 7.4): 2.38; (5)ACD/BCF (pH 5.5): 37.87; (6)ACD/BCF (pH 7.4): 37.87; (7)ACD/KOC (pH 5.5): 469.21; (8)ACD/KOC (pH 7.4): 469.21; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 48 Å²; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 104.944 cm³; (15)Molar Volume: 315.075 cm³; (16)Polarizability: 41.603×10^-24cm³; (17)Surface Tension: 45.55 dyne/cm; (18)Density: 1.231 g/cm³; (19)Flash Point: 307.536 °C; (20)Enthalpy of Vaporization: 87.389 kJ/mol; (21)Boiling Point: 584.899 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic to aquatic organisms as it may cause long-term adverse effects in the aquatic environment. You should avoid releasing it to the environment, and you need to refer to special instructions/safety data sheet.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C=C(c1ccc(Cl)cc1)c2ccc(OC)c(OC)c2)N3CCOCC3
(2)Std. InChI: InChI=1S/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
(3)Std. InChIKey: QNBTYORWCCMPQP-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
duck	LD50	oral	> 2gm/kg (2000mg/kg)	Pesticide Manual. Vol. 9, Pg. 296, 1991.
mammal (species unspecified)	LC50	inhalation	> 4200mg/m³ (4200mg/m³)	Pesticide Manual. Vol. 9, Pg. 296, 1991.
mouse	LD50	oral	> 5gm/kg (5000mg/kg)	Pesticide Manual. Vol. 9, Pg. 296, 1991.
rat	LD50	oral	3900mg/kg (3900mg/kg)	Pesticide Manual. Vol. 9, Pg. 296, 1991.
rat	LD50	skin	> 2gm/kg (2000mg/kg)	Pesticide Manual. Vol. 9, Pg. 296, 1991.