ChemicalBook CAS DataBase List 63333-35-7

63333-35-7

Name	BROMETHALIN
CAS	63333-35-7
Molecular Formula	C14H7Br3F3N3O4
MDL Number	MFCD01733226
Molecular Weight	577.93
MOL File	63333-35-7.mol

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)-

Chemical Properties

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)

Safety Data

Hazard Codes	T+,N
Risk Statements	26-28-50/53 less more
Safety Statements	28-36/37-45-60-61 less more
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) less more

Hazard Information

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).

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