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| CAS No.: | 5221-53-4 |
|---|---|
| Name: | DIMETHIRIMOL |
| Molecular Structure: | |
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|
|
| Formula: | C11H19 N3 O |
| Molecular Weight: | 209.291 |
| Synonyms: | 4(1H)-Pyrimidinone,5-butyl-2-(dimethylamino)-6-methyl- (9CI); 4-Pyrimidinol,5-butyl-2-(dimethylamino)-6-methyl- (7CI,8CI);2-Dimethylamino-6-hydroxy-4-methyl-5-butylpyrimidine;5-Butyl-2-dimethylamino-4-hydroxy-6-methylpyrimidine; Dimethirimol;Dimethyrimol; Melkeb; Methyrimol; Milcurb; NSC 263490; PP 675 |
| EINECS: | 226-021-7 |
| Density: | 1.07g/cm3 |
| Melting Point: | 103℃ |
| Boiling Point: | 296.1°Cat760mmHg |
| Flash Point: | 132.9°C |
| Solubility: | 1.2 g l-1 (25 °C) |
| Hazard Symbols: | Xn |
| Risk Codes: | 21-52 |
| Safety: | Poison by intraperitoneal route. Moderately toxic by ingestion and possibly other routes. When heated to decomposition it emits toxic fumes of NOx. |
| PSA: | 49.25000 |
| LogP: | 1.89920 |
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Chemistry
Product Name: Dimethirimol (CAS NO.5221-53-4)
Molecular Formula: C11H19N3O
Molecular Weight: 209.29g/mol
Mol File: 5221-53-4.mol
Einecs: 226-021-7
Boiling point: 296.1 °C at 760 mmHg
Storage Temperature: 0-6°C
Flash Point: 132.9 °C
Density: 1.07 g/cm3
Surface Tension: 34.6 dyne/cm
Enthalpy of Vaporization: 53.58 kJ/mol
Vapour Pressure: 0.00147 mmHg at 25°C
XLogP3-AA: 1.9
H-Bond Donor: 1
H-Bond Acceptor: 3
IUPAC Name: 5-butyl-2-(dimethylamino)-6-methyl-1H-pyrimidin-4-one
Canonical SMILES: CCCCC1=C(NC(=NC1=O)N(C)C)C
InChI: InChI=1S/C11H19N3O/c1-5-6-7-9-8(2)12-11(14(3)4)13-10(9)15/h5-7H2,1-4H3,
(H,12,13,15)
InChIKey: CJHXCRMKMMBYJQ-UHFFFAOYSA-N
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| chicken | LD50 | oral | 4gm/kg (4000mg/kg) | Pesticide Manual. Vol. 9, Pg. 293, 1991. | |
| guinea pig | LD50 | oral | 500mg/kg (500mg/kg) | Pesticide Manual. Vol. 9, Pg. 293, 1991. | |
| mammal (species unspecified) | LD50 | unreported | 4gm/kg (4000mg/kg) | "Chemistry of Pesticides," Melnikov, N.N., New York, Springer-Verlag New York, Inc., 1971Vol. -, Pg. 423, 1971. | |
| mouse | LD50 | oral | 800mg/kg (800mg/kg) | "Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969Vol. 5, Pg. 79, 1976. | |
| rat | LD50 | oral | 2350mg/kg (2350mg/kg) | World Review of Pest Control. Vol. 9, Pg. 119, 1970. | |
| rat | LD50 | skin | > 400mg/kg (400mg/kg) | World Review of Pest Control. Vol. 9, Pg. 119, 1970. | |
| rat | LDLo | intraperitoneal | 200mg/kg (200mg/kg) | Nature. Vol. 219, Pg. 1160, 1968. |
Safety Profile
Poison by intraperitoneal route. Moderately toxic by ingestion and possibly other routes. When heated to decomposition it emits toxic fumes of NOx.
Specification
Dimethirimol ,its CAS NO. is 5221-53-4,the synonyms is 2-Dimethylamino-4-hydroxy-5-n-butyl-6-methylpyrimidine ; 2-Dimethylamino-4-methyl-5-n-butyl-6-hydroxypyrimidine ; 5-Butyl-2-(dimethylamino)-6-methyl-4(1h)-pyrimidinone ; 5-Butyl-2-(dimethylamino)-6-methyl-4-pyrimidinol ; 5-Butyl-2-dimethylamino-6-methyl-4-pyrimidino .