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

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 
Safety Statements 
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)

Hazard Information

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