585-79-5
Product Name:
3-Bromonitrobenzene
Formula:
C6H4BrNO2
Synonyms:
3-Bromo-1-nitrobenzene;3-Nitro-1-bromobenzene
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Light yellow or tan solid; [Alfa Aesar MSDS] |
|---|---|
| Vapor Pressure | 0.07 [mmHg] |
| Chemical Classes | Nitrogen Compounds -> Nitros, Aromatic |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P405:Store locked up. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 202.01 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 200.94254 g/mol |
| Monoisotopic Mass | 200.94254 g/mol |
| Topological Polar Surface Area | 45.8 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 134 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |