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| CAS No.: | 116255-48-2 |
|---|---|
| Name: | BROMUCONAZOLE |
| Article Data: | 45 |
| Molecular Structure: | |
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| Formula: | C13H12 Br Cl2 N3 O |
| Molecular Weight: | 377.068 |
| Synonyms: | Bromuconazole;Granit; Granit (pesticide); LS 860263; Vectra |
| Density: | 1.71g/cm3 |
| Melting Point: | 84oC |
| Boiling Point: | 504.3oC at 760 mmHg |
| Flash Point: | 258.8oC |
| Hazard Symbols: |
|
| Risk Codes: | 22 |
| Safety: | A poison by ingestion. Moderately toxic by skin contact. When heated to decomposition it emits toxic vapors of NOx, Br−, and Cl−. |
| PSA: | 39.94000 |
| LogP: | 3.66420 |
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Chemistry
Bromoconazole ,its CAS register number is 116255-48-2,it's also named as Triazole-based ligand, 16 ; HSDB 7419 ; CID3444 ; CHEBI:540243 ; NCGC00163751-01 ; LS-155826 ; Vectra ; 1-((2rs,4rs,2rs,4sr)-4-Bromo-2-(2,4-dichlorophenyl)tetrahydrofurfuryl)-1h-1, ; 1-((4-Bromo-2-(2,4-dichlorophenyl)tetrahydro-2-furanyl)methyl)-1h-1,2,4-tria ; 1h-1,2,4-Triazole,1-((4-bromo-2-(2,4-dichlorophenyl)tetrahydro-2-furanyl)methy ,and so on. Bromoconazole (CAS No.116255-48-2) is colorless powder.
IUPAC Name: 1-[[4-Bromo-2-(2,4-dichlorophenyl)oxolan-2-yl]methyl]-1,2,4-triazole
CAS: 116255-48-2
Molecular Formula: C13H12BrCl2N3O
Molecular Weight: 377.06
Molecular structure:
ACD/LogD (pH 5.5): 2.73
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 5.5): 69.99
ACD/BCF (pH 7.4): 70.23
ACD/KOC (pH 5.5): 727.51
ACD/KOC (pH 7.4): 730.02
H bond acceptors: 4
H bond donors: 0
Freely Rotating Bonds: 3
Index of Refraction: 1.685
Molar Refractivity: 83.55 cm3
Molar Volume: 219.6 cm3
Polarizability: 33.12 10-24cm3
Surface Tension: 55.9 dyne/cm
Density: 1.71 g/cm3
Flash Point: 258.8 °C
Enthalpy of Vaporization: 77.38 kJ/mol
Boiling Point: 504.3 °C at 760 mmHg
Vapour Pressure: 2.69E-10 mmHg at 25°C
Uses
Bromoconazole (CAS No.116255-48-2) is usually used as fungicide.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| duck | LD50 | oral | > 2150mg/kg (2150mg/kg) | Pesticide Manual. Vol. 9, Pg. 1140, 1991. | |
| mouse | LD50 | oral | 1151mg/kg (1151mg/kg) | Pesticide Manual. Vol. 9, Pg. 1140, 1991. | |
| quail | LD50 | oral | > 2150mg/kg (2150mg/kg) | Pesticide Manual. Vol. 9, Pg. 1140, 1991. | |
| rabbit | LC50 | inhalation | > 5gm/m3 (5000mg/m3) | Pesticide Manual. Vol. 9, Pg. 1140, 1991. | |
| rat | LD50 | oral | 365mg/kg (365mg/kg) | Pesticide Manual. Vol. 9, Pg. 1140, 1991. | |
| rat | LD50 | skin | > 2gm/kg (2000mg/kg) | Pesticide Manual. Vol. 9, Pg. 1140, 1991. |
RTECS: XZ4130000
Safety Profile
A poison by ingestion. Moderately toxic by skin contact. When heated to decomposition it emits toxic vapors of NOx, Br−, and Cl−.
Hazard Codes: Xn .gif){kind=small}
Risk Statements: 22 (R22:Harmful if swallowed.)
Safety Statements: 36 (S36:Wear suitable protective clothing.)
Specification
Removal in wastewater treatment of Bromoconazole (CAS No.116255-48-2) can be stated as follows:
Total removal:8.33 percent
Total biodegradation:0.15 percent
Total sludge adsorption:8.19 percent
Total to Air:0.00 percent
(using 10000 hr Bio P,A,S)