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| CAS No.: | 6365-83-9 |
|---|---|
| Name: | ammonium 2-sec-butyl-4,6-dinitrophenolate |
| Molecular Structure: | |
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| Formula: | C10H12N2O5•H3N |
| Molecular Weight: | 257.28 |
| Synonyms: | Dow selective;Chemox selective;Dinoseb-ammonium;Sinox W;DNBP ammonium salt;ammonium (RS)-2-sec-butyl-4,6-dinitrophenolate;azanium,2-butan-2-yl-4,6-dinitrophenolate;Selective;Dinoterb-ammonium;BUTOPHEN;Ammonium 2-sec-butyl-4,6-dinitrophenolate;ammonium 2-(1-methylpropyl)-4,6-dinitrophenolate; |
| Density: | g/cm3 |
| Melting Point: | 38-42oC |
| Boiling Point: | 318.1°Cat760mmHg |
| Flash Point: | 132°C |
| Safety: | A poison by ingestion and skin contact. A severe eye irritant. When heated to decomposition it emits very toxic fumes of NH3 and NOx. |
| PSA: | 115.11000 |
| LogP: | 4.09240 |
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Chemistry
Molecule structure of Butophen (CAS NO.6365-83-9):
IUPAC Name: azanium 2-butan-2-yl-4,6-dinitrophenolate
Molecular Weight: 257.2432 g/mol
Molecular Formula: C10H15N3O5
Boiling Point: 318.1 °C at 760 mmHg
Flash Point: 132 °C
Enthalpy of Vaporization: 58.19 kJ/mol
Vapour Pressure: 0.000198 mmHg at 25 °C
H-Bond Donor: 1
H-Bond Acceptor: 5
Rotatable Bond Count: 2
Exact Mass: 257.101171
MonoIsotopic Mass: 257.101171
Topological Polar Surface Area: 110
Heavy Atom Count: 18
Complexity: 298
Canonical SMILES: CCC(C)C1=CC(=CC(=C1[O-])[N+](=O)[O-])[N+](=O)[O-].[NH4+]
InChI: InChI=1S/C10H12N2O5.H3N/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17;/h4-6,13H,3H2,1-2H3;1H3
InChIKey: RVSKHYSPNBOJDL-UHFFFAOYSA-N
EINECS: 228-858-3
Toxicity Data With Reference
| 1. | eye-rbt 50 µg/24H SEV | 28ZPAK Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,108. | ||
| 2. | orl-rat LD50:45 mg/kg | 28ZPAK Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,108. | ||
| 3. | skn-rat LDLo:67 mg/kg | BJIMAG British Journal of Industrial Medicine. 26 (1969),59. |
Safety Profile
A poison by ingestion and skin contact. A severe eye irritant. When heated to decomposition it emits very toxic fumes of NH3 and NOx.
Specification
Butophen (CAS NO.6365-83-9) is also called 2-(1-Methyl-n-propyl) 4,6-dinitrophenol, ammonium salt ; 2-sec-Butyl-4,6-dinitrophenol, ammonium salt ; 4,6-Dinitro-2-sec-butylphenol ammonium salt ; 4,6-Dinitro-2-sec.butylfenolate ammony ; 4,6-Dinitro-2-sec.butylfenolate ammony [Czech] ; 4,6-Dinitro-o-sec-butylphenol ammonium salt ; Chemox selective ; DNBP ammonium salt ; Dinoseb (amine) ; Dinoseb-ammonium ; Dinoterb-ammonium ; Dow selective ; Phenol, 2-sec-butyl-4,6-dinitro-, amine deriv. ; Selective ; Sinox W ; UNII-B5TNV5E10B . Butophen (CAS NO.6365-83-9) is high toxic. It will produce toxic nitrogen oxides and ammonia fumes by heat. So the storage environment should be ventilate, low-temperature and dry. Keep Butophen (CAS NO.6365-83-9) separate from raw materials of food.