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| CAS No.: | 28772-56-7 |
|---|---|
| Name: | Bromadiolone |
| Molecular Structure: | |
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| 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: |
 T+
|
| Risk Codes: | 27/28 |
| Safety: | 28-36/37/39-45 |
| Transport Information: | UN 2811 |
| PSA: | 70.67000 |
| LogP: | 7.18370 |
- 28774-93-8Poly[oxycarbonyloxy(2,6-dibromo-1,4-phenylene)(1-methylethylidene)(3,5-dibromo-1,4-phenylene)]
- 28776-65-0Poly[oxy(2,2-dimethyl-1,3-propanediyl)oxy(1,4-dioxo-1,4-butanediyl)]
- 2878-14-02-Propen-1-amine,2-methyl- (9CI)
- 28781-85-32,2-Difluoropropionic acid ethyl ester
- 28783-17-7Thieno[2,3-c]pyridine,3-bromo-
- 28783-18-8Thieno[3,2-c]pyridine, 3-bromo-
- 28783-35-9Thiophene,4-bromo-2-(2-nitroethenyl)-
- 28783-38-2Thieno[2,3-c]pyridine,4,5,6,7-tetrahydro-, hydrochloride (1:1)
- 28783-41-7Thieno[3,2-c]pyridine,4,5,6,7-tetrahydro-, hydrochloride (1:1)
- 28783-51-9Propanedioic acid,2-(chloromethylene)-, 1,3-diethyl ester
- Total:3 Page 1 of 1 1
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Production
C30H23BrO4
Consensus Reports
Specification
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
3.InChIKey: OWNRRUFOJXFKCU-UHFFFAOYAS
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 BLOOD: CHANGE IN CLOTTING FACTORS | 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 BLOOD: CHANGE IN CLOTTING FACTORS | 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. |