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314-42-1

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Basic Information
CAS No.: 314-42-1
Name: isocil
Article Data: 3
Molecular Structure:
Molecular Structure of 314-42-1 (isocil)
Formula: C8H11 Br N2 O2
Molecular Weight: 247.092
Synonyms: Uracil,5-bromo-3-isopropyl-6-methyl- (8CI); 3-Isopropyl-5-bromo-6-methyluracil;5-Bromo-3-isopropyl-6-methyluracil;5-Bromo-6-methyl-3-(1-methylethyl)-2,4(1H,3H)-pyrimidinedione; H 82; Hyvar;Isocil; Isocil (herbicide); NSC 75241
Density: 1.522g/cm3
Hazard Symbols: Toxic by ingestion.
Safety: Moderately toxic by ingestion. See also BROMIDES. When heated to decomposition it emits very toxic fumes of Br− and NOx.
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Chemistry

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

Toxicity Data With Reference

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.

Safety Profile

Moderately toxic by ingestion. See also BROMIDES. When heated to decomposition it emits very toxic fumes of Br− and NOx.

Specification

 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) .