1122-91-4
4-Bromobenzaldehyde
CAS: 1122-91-4
Molecular Formula: C7H5BrO
1122-91-4 - Names and Identifiers
| Name | 4-Bromobenzaldehyde |
| Synonyms | AKOS BBS-00003194 4-Brombenzaldehyd 4-bromo-benzaldehyd 4-BROMOBENZALDEHYDE p-bromo-benzaldehyd 4-Bromobenzaldehyde p-Bromobenzaldehyde 4-BROMOBENZYLALDEHYDE Benzaldehyde,4-bromo- Benzaldehyde, p-bromo- 1-(4-bromophenyl)ethanone |
| CAS | 1122-91-4 |
| EINECS | 214-365-0 |
| InChI | nChI=1/C7H5BrO/c8-7-3-1-6(5-9)2-4-7/h1-5H |
| InChIKey | ZRYZBQLXDKPBDU-UHFFFAOYSA-N |
1122-91-4 - Physico-chemical Properties
| Molecular Formula | C7H5BrO |
| Molar Mass | 185.02 |
| Density | 1.85 g/cm3 |
| Melting Point | 55-58°C(lit.) |
| Boling Point | 66-68°C 2mm |
| Flash Point | 228°F |
| Water Solubility | INSOLUBLE |
| Solubility | Chloroform, Ethyl Acetate |
| Vapor Presure | 0.0249mmHg at 25°C |
| Appearance | White flakes |
| Color | White |
| BRN | 507100 |
| Storage Condition | Store below +30°C. |
| Sensitive | Air Sensitive |
| Refractive Index | 1.5727 (estimate) |
| MDL | MFCD00003377 |
| Physical and Chemical Properties | melting point 55-58°C |
| Use | For organic synthesis, pharmaceutical intermediates |
1122-91-4 - Risk and Safety
| Risk Codes | R22 - Harmful if swallowed R36/37/38 - Irritating to eyes, respiratory system and skin. R43 - May cause sensitization by skin contact |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37 - Wear suitable protective clothing and gloves. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S22 - Do not breathe dust. |
| UN IDs | 2811 |
| WGK Germany | 2 |
| RTECS | CU4810000 |
| TSCA | Yes |
| HS Code | 29130000 |
| Hazard Note | Irritant/Harmful/Air Sensitive |
| Hazard Class | 6.1(b) |
| Packing Group | III |
1122-91-4 - Introduction
Soluble in ethanol and benzene, insoluble in water. It's irritating.
Last Update：2022-10-16 17:12:17
1122-91-4 - Reference Information
| LogP | 2.75 at 25℃ |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| uses | intermediates in medicine and dyes. Used in organic synthesis, pharmaceutical intermediates, etc. |
| production method | is prepared by the following reaction of p-bromotoluene: under the condition of light, bromine is added dropwise from the liquid surface to p-bromotoluene at 105 ℃, and the temperature in the early stage of dropwise addition is 105-110 ℃. The temperature in the later period is 135 ℃. After adding, the temperature slowly rises to 150 ℃, then calcium carbonate powder and water are added and stirred evenly, heated and refluxed for 15min for hydrolysis. Then steam distillation is carried out to cool the distillate and filter out p-bromobenzaldehyde crystals. |
| category | toxic substances |
| toxicity classification | poisoning |
| acute toxicity | oral administration-mouse LD50: 1230 mg/kg; Abdominal cavity-mouse LD50: 389 mg/kg |
| flammability hazard characteristics | thermal decomposition discharges toxic bromide vapor |
| storage and transportation characteristics | warehouse ventilation and low temperature drying |
| fire extinguishing agent | water, sand, carbon dioxide, dry powder, foam |
Last Update：2024-04-09 20:48:19
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