Product Name: Isocil (CAS NO.314-42-1)
Molecular Formula: C8H11BrN2O2
Molecular Weight: 247.12g/mol
Mol File: 314-42-1.mol
Density: 1.522 g/cm3
Surface Tension: 43.4 dyne/cm
XLogP3-AA: 1.6
H-Bond Donor: 1
H-Bond Acceptor: 2
IUPAC Name: 5-bromo-6-methyl-3-propan-2-yl-1H-pyrimidine-2,4-dione
Canonical SMILES: CC1=C(C(=O)N(C(=O)N1)C(C)C)Br
InChI: InChI=1S/C8H11BrN2O2/c1-4(2)11-7(12)6(9)5(3)10-8(11)13/h4H,1-3H3,(H,10,13)
InChIKey: PSYBGEADHLUXCS-UHFFFAOYSA-N
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LDLo | oral | 3750mg/kg (3750mg/kg) | Toxicology and Applied Pharmacology. Vol. 23, Pg. 288, 1972. | |
rat | LD50 | oral | 3400mg/kg (3400mg/kg) | Residue Reviews. Vol. 10, Pg. 97, 1965. |
Moderately toxic by ingestion. See also BROMIDES. When heated to decomposition it emits very toxic fumes of Br− and NOx.
Isocil ,its CAS NO. is 314-42-1,the synonyms is 2,4(1H,3H)-pyrimidinedione, 5-bromo-6-methyl-3-(1-methylethyl)- (9CI) ; 3-Isopropyl-5-bromo-6-methyluracil ; 5-24-07-00039 (Beilstein Handbook Reference) ; 5-Brom-3-isopropyl-6-methyl-uracil ; 5-Bromo-3-isopropyl-6-methyl, 2,4-pyrimidinedione ; 5-Bromo-6-methyl-3-(1-methylethyl)-2,4-(1H,3H)-pyrimidinedione ; Caswell No. 504 ; Du Pont herbicide 82 ; EINECS 206-247-2 ; EPA Pesticide Chemical Code 011801 ; Uracil, 5-bromo-3-isopropyl-6-methyl- (8CI) .
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