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63333-35-7

63333-35-7 Structure

63333-35-7 Structure
IdentificationBack Directory
[Name]

BROMETHALIN
[CAS]

63333-35-7
[Synonyms]

el614
trifluoro-
lilly126714
bromethalin
bromethaline
goldcrestvengeance
bromethalin (bsi, draft e-iso, ansi)
N-METHYL-2,4-DINITRO-N-(2,4,6-TRIBROMOPHENYL)-6-(TRIFLUORO.
2,4,6-tribromo-N-(2,4-dinitro-6-(trifluoromethyl)phenyl)-N-methylaniline
4,6-tribromophenyl)-alpha,alpha,alpha-trifluoro-o-6-dinitro-n-methyl-n-(2
α,α,α-Trifluoro-N-methyl-4,6-dinitro-N-(2,4,6-tribromophenyl)-o-toluidine
n-methyl-2,4-dinitro-n-2,4,6-tribromophenyl(-6)trifluoromethylbenzeneamine
6-Trifluoromethyl-N-methyl-2,4-dinitro-N-(2,4,6-tribromophenyl)benzenamine
4,6-dinitro-n-methyl-n-(2,4,6-tribromophenyl)-alpha,alpha,alpha-o-toluidin
2,4-dinitro-n-methyl-n-(2,4,6-tribromophenyl)-6-(trifluoromethyl)-benzenamin
N-Methyl-2,4-dinitro-N-(2,4,6-tribromophenyl)-6-(trifluoromethyl)-benzenamine
Benzenamine, N-methyl-2,4-dinitro-N-(2,4,6-tribromophenyl)-6-(trifluoromethyl)-
[Molecular Formula]

C14H7Br3F3N3O4
[MDL Number]

MFCD01733226
[MOL File]

63333-35-7.mol
[Molecular Weight]

577.93
Chemical PropertiesBack Directory
[Appearance]

Pale yellow, water-insoluble crystalline substance.
[Melting point ]

150.5℃
[Boiling point ]

190°C (rough estimate)
[density ]

2.0944 (estimate)
[vapor pressure ]

1.3 x l0-5 Pa (25 °C)
[solubility ]

Chloroform (Slightly), DMSO (Slightly)
[form ]

Solid
[pka]

-9.73±0.50(Predicted)
[Water Solubility ]

<0.1 mg l-1
[color ]

Light Yellow to Yellow
[InChI]

InChI=1S/C14H7Br3F3N3O4/c1-21(13-9(16)2-6(15)3-10(13)17)12-8(14(18,19)20)4-7(22(24)25)5-11(12)23(26)27/h2-5H,1H3
[InChIKey]

USMZPYXTVKAYST-UHFFFAOYSA-N
[SMILES]

C1(N(C)C2=C(Br)C=C(Br)C=C2Br)=C(C(F)(F)F)C=C([N+]([O-])=O)C=C1[N+]([O-])=O
[EPA Substance Registry System]

Bromethalin (63333-35-7)
Hazard InformationBack Directory
[Chemical Properties]

Pale yellow, water-insoluble crystalline substance.
[Uses]

Rodenticide.
[Hazard]

Poisonous; moderately toxic; causes headache, confusion, personality changes, seizures, coma, death.
[Definition]

ChEBI: Bromethalin is a C-nitro compound.
[Metabolic pathway]

Bromethalin is a complex molecule possessing several functional groups and rapid and multi-pathway metabolism would be expected. There is a dearth of information published on its environmental fate and metabolism in plants but some limited information on metabolism in rats is available.
[Degradation]

Bromethalin is stable under normal storage conditions but it is degraded by UV light.
[Toxicity evaluation]

Bromethalin is produced by reaction of 2,4-dinitro-6- trifluoromethyl methylaniline with 1,2,3,5-tetrabromobenzene (15). This compound has been known for some time to have rodenticidal properties (16) but has only recently been made available. Bromethalin is used in baits at a concentration of 0.005 or 0.01% and is effective against rodents resistant to anticoagulants. It does not induce bait shyness. Anorexia occurs after an effective dose has been consumed. The mode of action is by uncoupling oxidative phosphorylation in cells of the central nervous system. Symptoms of poisoning include tremors, convulsions, prostration, and hind-limb paralysis. No specific antidote is available but a symptomatic treatment has been described (17). Trade Names. Assault (Purina Mills), Vengeance (Dow- Elanco). The following acute and subacute compounds are used for rodent control less frequently than those listed above, either because they are not widely available or because restrictions have been placed upon their use due to safety considerations (11,18).
Safety DataBack Directory
[Hazard Codes ]

T+,N
[Risk Statements ]

26-28-50/53
[Safety Statements ]

28-36/37-45-60-61
[RIDADR ]

UN2811 - class 6.1 - PG 1 - EHS - Toxic solids, organic, n.o.s., HI: all
[HS Code ]

29214300
[Hazardous Substances Data]

63333-35-7(Hazardous Substances Data)
[Toxicity]

LD50 in mice, rats, cats, dogs (mg/kg): 2, 5, 2, 5 orally (Dreikorn)
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