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CAS No.: 28772-56-7
Name: Bromadiolone
Molecular Structure:
Molecular Structure of 28772-56-7 (Bromadiolone)
Formula: C30H23BrO4
Molecular Weight: 527.414
Synonyms: 3-[3-(4'-Bromo[1,1'-biphenyl]-4-yl)-3-hydroxy-1-phenylpropyl]-4-hydroxy-2H-1-benzopyran-2-one;3-(3-(4'-Bromo-(1,1'-biphenyl)-4-yl)-3-hydroxy-1-phenylpropyl)-4-hydroxycoumarin;
EINECS: 249-205-9
Density: 1.454 g/cm3
Melting Point: 200-210oC
Boiling Point: 723.372 °C at 760 mmHg
Flash Point: 391.282 °C
Solubility: 19 mg l-1 (20 °C)
Appearance: yellowish powder
Hazard Symbols: VeryT+
Risk Codes: 27/28
Safety: 28-36/37/39-45
Transport Information: UN 2811
PSA: 70.67000
LogP: 7.18370
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Consensus Reports

EPA Extremely Hazardous Substances List.


The 3-(3-(4'-Bromo-(1,1'-biphenyl)-4-yl)-3-hydroxy-1-phenylpropyl)-4-hydroxycoumarin, with the CAS registry number 28772-56-7, has the systematic name 3-[3-(4'-bromobiphenyl-4-yl)-3-hydroxy-1-phenylpropyl]-4-hydroxy-2H-chromen-2-one. Its molecular formula is C30H23BrO4 and its classification code are Agricultural Chemical; Anticoagulants; Hematologic Agents; Pesticides; Rodenticides. Additionally, its product categories are Insecticide; Alphabetic; S; SN - SZ. What's more, it is a potent rodenticide.may be used both indoors and outdoors for rats and mice.

Other characteristics of the 3-(3-(4'-Bromo-(1,1'-biphenyl)-4-yl)-3-hydroxy-1- can be summarised as followings: (1)ACD/LogP: 6.83; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 6; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 25853; (6)ACD/BCF (pH 7.4): 446; (7)ACD/KOC (pH 5.5): 25379; (8)ACD/KOC (pH 7.4): 438; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 66.76 Å2; (13)Index of Refraction: 1.687; (14)Molar Refractivity: 138.092 cm3; (15)Molar Volume: 362.557 cm3; (16)Polarizability: 54.744 ×10-24cm3; (17)Surface Tension: 62.438 dyne/cm; (18)Density: 1.455 g/cm3; (19)Flash Point: 391.282 °C; (20)Enthalpy of Vaporization: 110.907 kJ/mol; (21)Boiling Point: 723.372 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. As it's flammable, keep it away from the sources of ignition.

You can still convert the following datas into molecular structure: 
1.SMILES: Brc1ccc(cc1)c2ccc(cc2)C(O)CC(C\3=C(/O)c4ccccc4OC/3=O)c5ccccc5
2.InChI: InChI=1/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

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 oral > 25mg/kg (25mg/kg)   "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A041, Pg. 1983,
dog LD50 oral 8100ug/kg (8.1mg/kg)   Defense des Vegetaux. Vol. 43(255-256), Pg. 18, 1989.
mouse LD50 oral 1750ug/kg (1.75mg/kg) BLOOD: HEMORRHAGE

Phytiatrie-Phytopharmacie. Vol. 25, Pg. 69, 1976.
quail LD50 oral 1600mg/kg (1600mg/kg)   "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A041, Pg. 1983,
rabbit LD50 oral 1mg/kg (1mg/kg) BLOOD: HEMORRHAGE

Phytiatrie-Phytopharmacie. Vol. 25, Pg. 69, 1976.
rabbit LD50 skin 2100ug/kg (2.1mg/kg)   "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A041, Pg. 1983,
rat LD50 oral 490ug/kg (0.49mg/kg)   MARDI Research Bulletin. Vol. 13, Pg. 303, 1985.