28772-56-7

Name Bromadiolone
CAS 28772-56-7
EINECS(EC#) 249-205-9
Molecular Formula C30H23BrO4
MDL Number MFCD00128053
Molecular Weight 527.41
MOL File 28772-56-7.mol

Chemical Properties

Appearance Bromadiolone is white to off-white (yellowish) powder.
Melting point  200-210°
Boiling point  723.4±60.0 °C(Predicted)
density  1.3243 (rough estimate)
vapor pressure  2 x l0-6Pa (20 °C)
refractive index  1.4490 (estimate)
storage temp.  -20°C
solubility  DMF: 30 mg/ml; DMSO: 30 mg/ml; DMSO:PBS (pH 7.2) (1:3): 0.25 mg/ml
form  Powder
pka 4.04(at 21℃)
Water Solubility  19 mg l-1 (20 °C)
Merck  13,1366
BRN  1335336
Henry's Law Constant 1.1×106 mol/(m3Pa) at 25℃, HSDB (2015)
Major Application agriculture
environmental
InChI 1S/C30H23BrO4/c31-23-16-14-20(15-17-23)19-10-12-22(13-11-19)26(32)18-25(21-6-2-1-3-7-21)28-29(33)24-8-4-5-9-27(24)35-30(28)34/h1-17,25-26,32-33H,18H2
InChIKey OWNRRUFOJXFKCU-UHFFFAOYSA-N
SMILES OC(CC(c1ccccc1)C2=C(O)c3ccccc3OC2=O)c4ccc(cc4)-c5ccc(Br)cc5
LogP 7.480 (est)
CAS DataBase Reference 28772-56-7(CAS DataBase Reference)
EPA Substance Registry System 28772-56-7(EPA Substance)

Safety Data

Hazard Codes  T+
Risk Statements 
R27/28:Very Toxic in contact with skin and if swallowed .
Safety Statements 
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
RIDADR  UN 2811
WGK Germany  3
RTECS  GN4934700
HazardClass  6.1(a)
PackingGroup  I
Storage Class 6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
Hazard Classifications Acute Tox. 1 Dermal
Acute Tox. 1 Inhalation
Acute Tox. 1 Oral
Aquatic Acute 1
Aquatic Chronic 1
Repr. 1B
STOT RE 1
Hazardous Substances Data 28772-56-7(Hazardous Substances Data)
Toxicity
LD50 in rats, mice (mg/kg): 1.125, 1.75 orally (Grand)

Hazard Information

Material Safety Data Sheet(MSDS)

Well-known Reagent Company Product Information