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CAS No.: | 56073-10-0 |
---|---|
Name: | Brodifacoum |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C31H23BrO3 |
Molecular Weight: | 523.426 |
Synonyms: | Talon Rodenticide;BFC;Brodimat;Klerat;Klerat Block;Talon;Talon (rodenticide);Volid;WBA 8119; |
EINECS: | 259-980-5 |
Density: | 1.432 g/cm3 |
Melting Point: | 228-230oC |
Boiling Point: | 678.995 °C at 760 mmHg |
Flash Point: | 364.443 °C |
Solubility: | 0.24 mg l-1 (20 °C) |
Hazard Symbols: | N; T+ |
Risk Codes: | 27/28-48/24/25-50/53 |
Safety: | 1/2-36/37-45-60-61 |
Transport Information: | UN 2811 |
PSA: | 50.44000 |
LogP: | 7.79000 |
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.
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. |