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Brodifacoum

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Brodifacoum

EINECS 259-980-5
CAS No. 56073-10-0 Density 1.432 g/cm3
PSA 50.44000 LogP 7.79000
Solubility 0.24 mg l-1 (20 °C) Melting Point 228-230oC
Formula C31H23BrO3 Boiling Point 678.995 °C at 760 mmHg
Molecular Weight 523.426 Flash Point 364.443 °C
Transport Information UN 2811 Appearance N/A
Safety 1/2-36/37-45-60-61 Risk Codes 27/28-48/24/25-50/53
Molecular Structure Molecular Structure of 56073-10-0 (Brodifacoum) Hazard Symbols DangerousN; VeryT+
Synonyms

Talon Rodenticide;BFC;Brodimat;Klerat;Klerat Block;Talon;Talon (rodenticide);Volid;WBA 8119;

Article Data 3

Brodifacoum Specification

The CAS registry number of Talon rodenticide is 56073-10-0. The IUPAC name is 3-[3-(4'-bromobiphenyl-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-hydroxy-2H-chromen-2-one. Its EINECS registry number is 259-980-5. In addition, the molecular formula is C31H23BrO3 and the molecular weight is 523.42. It belongs to the classes of Insecticide; Alphabetic; B; BI -BZPesticides&Metabolites; Pesticides; Rodenticides; A-BAlphabetic; Alpha sort; Pesticides & Metabolites. It should be stored in a cool, ventilated and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 8.17; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 8; (4)ACD/LogD (pH 7.4): 6; (5)ACD/BCF (pH 5.5): 612893; (6)ACD/BCF (pH 7.4): 10573; (7)ACD/KOC (pH 5.5): 244678; (8)ACD/KOC (pH 7.4): 4221; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 46.53 Å2; (13)Index of Refraction: 1.686; (14)Molar Refractivity: 139.158 cm3; (15)Molar Volume: 365.634 cm3; (16)Polarizability: 55.166 ×10-24cm3; (17)Surface Tension: 58.438 dyne/cm; (18)Density: 1.432 g/cm3; (19)Flash Point: 364.443 °C; (20)Enthalpy of Vaporization: 104.676 kJ/mol; (21)Boiling Point: 678.995 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Preparation of Talon rodenticide: it can be prepared by 4-hydroxycoumarin and 3-(4'-bromobiphenyl-4-yl)-1,2,3,4-tetrahydro-1-naphthol.

Talon rodenticide can be prepared by 4-hydroxycoumarin and 3-(4'-bromobiphenyl-4-yl)-1,2,3,4-tetrahydro-1-naphthol 

Uses of Talon rodenticide: it can be used as anticoagulation blood type of agent which can kill the rats. The toxicity is strong and it has the acute and chronic function for killing the rats. It can be used to prevent wild habitat rats and home habitat mice.

When you are using this chemical, please be cautious about it as the following:
It is very toxic in contact with skin and if swallowed and to toxic aquatic organisms, may cause long-term adverse effects in the aquatic environment. And it has danger of serious damage to health by prolonged exposure in contact with skin and if swallowed. You should wear suitable protective clothing and gloves  and avoid release to the environment. Refer to special instructions safety data sheet. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible). This material and/or its container must be disposed of as hazardous waste. In addition, you should keep it locked up and out of the reach of children.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(cc1)c2ccc(cc2)C4Cc3ccccc3C(C4)C\5=C(/O)c6ccccc6OC/5=O
(2)InChI: InChI=1/C31H23BrO3/c32-24-15-13-20(14-16-24)19-9-11-21(12-10-19)23-17-22-5-1-2-6-25(22)27(18-23)29-30(33)26-7-3-4-8-28(26)35-31(29)34/h1-16,23,27,33H,17-18H2
(3)InChIKey: VEUZZDOCACZPRY-UHFFFAOYAI

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 oral 25mg/kg (25mg/kg)   Pesticide Manual. Vol. 9, Pg. 91, 1991.
chicken LD50 oral 4500ug/kg (4.5mg/kg)   Pesticide Manual. Vol. 9, Pg. 91, 1991.
dog LD50 oral 250ug/kg (0.25mg/kg)   Pesticide Manual. Vol. 9, Pg. 91, 1991.
domestic animals - goat/sheep LDLo oral 3mg/kg (3mg/kg) SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION

BEHAVIORAL: FOOD INTAKE (ANIMAL)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
New Zealand Journal of Experimental Agriculture. Vol. 12, Pg. 63, 1984.
duck LD50 oral 2mg/kg (2mg/kg)   Pesticide Manual. Vol. 9, Pg. 91, 1991.
gerbil LD50 oral 1mg/kg (1mg/kg)   Journal of Hygiene. Vol. 87, Pg. 179, 1981.
guinea pig LD50 oral 2800ug/kg (2.8mg/kg)   Pesticide Manual. Vol. 9, Pg. 91, 1991.
mammal (species unspecified) LD50 oral 1320ug/kg (1.32mg/kg) SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: FOOD INTAKE (ANIMAL)
New Zealand Journal of Experimental Agriculture. Vol. 12, Pg. 63, 1984.
man TDLo oral 120ug/kg (0.12mg/kg) GASTROINTESTINAL: OTHER CHANGES

KIDNEY, URETER, AND BLADDER: HEMATURIA

BLOOD: CHANGE IN CLOTTING FACTORS
Veterinary and Human Toxicology. Vol. 36, Pg. 216, 1994.
man TDLo oral 120ug/kg (0.12mg/kg) BLOOD: CHANGE IN CLOTTING FACTORS JAMA, Journal of the American Medical Association. Vol. 252, Pg. 3005, 1984.
man TDLo oral 167ug/kg (0.167mg/kg) BLOOD: HEMORRHAGE

BLOOD: CHANGE IN CLOTTING FACTORS
Journal of Toxicology, Clinical Toxicology. Vol. 26, Pg. 233, 1988.
mouse LD50 oral 290ug/kg (0.29mg/kg)   Pesticides. Vol. 18(7), Pg. 15, 1984.
rabbit LD50 oral 200ug/kg (0.2mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: FOOD INTAKE (ANIMAL)
New Zealand Journal of Experimental Agriculture. Vol. 9, Pg. 23, 1981.
rabbit LDLo skin 2500ug/kg (2.5mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
National Technical Information Service. Vol. OTS0545460,
rat LC50 inhalation 500ug/m3/4H (0.5mg/m3)   Pesticide Manual. Vol. 9, Pg. 91, 1991.
rat LD50 oral 160ug/kg (0.16mg/kg)   Malaysian Agricultural Journal. Vol. 52(4), Pg. 1, 1979.
rat LD50 skin 200mg/kg (200mg/kg)   Pesticide Manual. Vol. 9, Pg. 91, 1991.
women TDLo oral 172ug/kg (0.172mg/kg) CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP

KIDNEY, URETER, AND BLADDER: OTHER CHANGES

BLOOD: HEMORRHAGE
American Journal of Emergency Medicine. Vol. 14, Pg. 656, 1996.

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