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| CAS No.: | 584-48-5 |
|---|---|
| Name: | 1-Bromo-2,4-dinitrobenzene |
| Molecular Structure: | |
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|
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| Formula: | C6H3 Br N2 O4 |
| Molecular Weight: | 247.005 |
| Synonyms: | 1-Bromo-2,4-dinitrobenzene;2,4-Dinitrobromobenzene; 2,4-Dinitrophenyl bromide; 2-Bromo-1,5-dinitrobenzene;4-Bromo-1,3-dinitrobenzene; 6-Bromo-1,3-dinitrobenzene; NSC 3808;o,p-Dinitrophenyl bromide |
| Density: | 1.910 |
| Melting Point: |
71-73 °C(lit.) |
| Boiling Point: | 288℃ |
| Flash Point: | 128℃ |
| Solubility: | Soluble in water (partly miscible). |
| Appearance: | YELLOW CRYSTALLINE SOLID |
| Hazard Symbols: | Xi |
| Risk Codes: | 36/37/38-43 |
| Safety: | Mutation data reported. When heated to decomposition it emits toxic vapors of NOx and Br−. |
| PSA: | 91.64000 |
| LogP: | 3.31190 |
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Chemistry
Empirical Formula: C6H3BrN2O4
Molecular Weight: 247.003 g/mol
EINECS: 209-539-8
Index of Refraction: 1.647
Density: 1.91 g/cm3
Flash Point: 128.2 °C
Enthalpy of Vaporization: 50.65 kJ/mol
Boiling Point: 288.4 °C at 760 mmHg
Vapour Pressure: 0.00406 mmHg at 25 °C
Melting point: 71-73 °C(lit.)
Appearance: Yellow crystalline solid
The structure of 1-Bromo-2,4-dinitrobenzene (CAS NO.584-48-5):
IUPAC Name: 1-Bromo-2,4-dinitrobenzene
Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Br
InChI: InChI=1S/C6H3BrN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H
InChIKey: PBOPJYORIDJAFE-UHFFFAOYSA-N
Product Categories of 1-Bromo-2,4-dinitrobenzene (CAS NO.584-48-5): Aromatic Hydrocarbons (substituted) & Derivatives;Nitro Compounds;Nitrogen Compounds;Organic Building Blocks
Toxicity Data With Reference
| 1. | mic-sat 5 µmol/L | MUREAV Mutation Research. 176 (1987),171. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Mutation data reported. When heated to decomposition it emits toxic vapors of NOx and Br−.
Hazard Codes: 
Xi
Risk Statements: 36/37/38-43
R36/37/38:Irritating to eyes, respiratory system and skin.
R43:May cause sensitization by skin contact.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
Specification
1-Bromo-2,4-dinitrobenzene ,its cas register number is 584-48-5. It also can be called 2,4-Dinitrobromobenzene ; 4-Bromo-1,3-dinitrobenzene ; and Benzene, 1-bromo-2,4-dinitro- . It is hazardous, so the first aid measures and others should be known. Such as: When on the skin: should flush skin with plenty of water immediately for at least 15 minutes while removing contaminated clothing. Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. While, it's inhaled: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Then get medical aid immediately. Then you have the ingesting of the product: do not induce vomiting. Do not induce vomiting. Get medical aid immediately.
In addition, 1-Bromo-2,4-dinitrobenzene (CAS NO.584-48-5) could be stable under normal temperatures and pressures. It is not compatible with strong oxidizing agents, strong bases, and it's not avoided with incompatible materials, and temperatures above 150 °C. And also prevent it to broken down into hazardous decomposition products: carbon monoxide, oxides of nitrogen, carbon dioxide, hydrogen bromide.