3-Methylphenylbromide
3-Bromotoluene
CAS: 591-17-3
Molecular Formula: C7H7Br
3-Methylphenylbromide - Names and Identifiers
3-Methylphenylbromide - Physico-chemical Properties
| Molecular Formula | C7H7Br |
| Molar Mass | 171.03 |
| Density | 1.41g/mLat 25°C(lit.) |
| Melting Point | -40 °C |
| Boling Point | 183.7°C(lit.) |
| Flash Point | 140°F |
| Water Solubility | insoluble |
| Solubility | 0.05g/l |
| Vapor Presure | 1.12mmHg at 25°C |
| Appearance | Liquid |
| Specific Gravity | 1.410 |
| Color | Clear colorless to light yellow |
| Merck | 14,1439 |
| BRN | 1903633 |
| Storage Condition | Store below +30°C. |
| Refractive Index | n20/D 1.552(lit.) |
| Physical and Chemical Properties | Character: colorless liquid. melting point -39.8 ℃ boiling point 183.7 ℃ solid point relative density 1.4099 refractive index 1.5520 solubility insoluble in water, soluble in ethanol, ether. |
| Use | Used as raw materials and intermediates in organic synthesis, also used in the pharmaceutical industry |
3-Methylphenylbromide - Risk and Safety
| Risk Codes | R22 - Harmful if swallowed R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S37/39 - Wear suitable gloves and eye/face protection |
| UN IDs | UN 1993 3/PG 3 |
| WGK Germany | 3 |
| RTECS | XS7965400 |
| FLUKA BRAND F CODES | 8 |
| TSCA | Yes |
| HS Code | 29036990 |
| Hazard Note | Harmful/Irritant |
3-Methylphenylbromide - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| Uses | Used as raw materials and intermediates for organic synthesis, and also used in the pharmaceutical industry Used in organic synthesis and solvents. |
| Production method | It is obtained by diazotization and reduction of 3-bromo-4-aminotoluene. The mixture of 95% ethanol, concentrated sulfuric acid and 3-bromo-4-aminotoluene was stirred and cooled to 10 ℃, and sodium nitrite solution was added to keep the reaction temperature not exceeding 10 ℃. After adding, continue stirring for 20min. Add copper powder washed with ether, heat carefully, stop heating after the reaction starts, and release nitrogen vigorously to generate acetaldehyde. When the reaction is relaxed, heat appropriately to make the reaction complete. Then steam distillation is performed until the oil-free substance is steamed out. The organic phase is separated from the distillate and washed with 10% sodium hydroxide, water, concentrated sulfuric acid and 5% sodium carbonate solution in turn. Drying, filtering and distillation with anhydrous calcium chloride, collecting 180-183 ℃(99.75kPa) fractions to obtain colorless pure products with a yield of more than 50%. |
| category | toxic substances |
| toxicity classification | poisoning |
| acute toxicity | oral administration-mouse LD50: 1436 mg/kg; Abdominal cavity-mouse LD50: 1215 mg/kg |
| flammability hazard characteristics | open flame combustible; heated decomposition of toxic bromide gas |
| storage and transportation characteristics | warehouse ventilation and low temperature drying; Separate storage and transportation from oxidant and food raw materials |
| fire extinguishing agent | carbon dioxide, sand, foam, sand |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 21:04:16
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