4-bromobenzyl cyanide
4-Bromophenylacetonitrile
CAS: 16532-79-9
Molecular Formula: C8H6BrN
4-bromobenzyl cyanide - Names and Identifiers
| Name | 4-Bromophenylacetonitrile |
| Synonyms | P-bromobenzyl cyanide 4-bromobenzyl cyanide P-BROMOBENZYL CYANIDE 4-BROMOBENZYL CYANIDE p-Bromophenylacetonitrile 4-BROMOPHENYLACETONITRILE 4-Bromophenylacetonitrile (P-BROMOPHENYL)ACETONITRILE (p-bromophenyl)-acetonitril 4-(CyanoMethyl)broMobenzene 1-BroMo-4-cyanoMethylbenzene 2-(4-BROMOPHENYL)ACETONITRILE Benzeneacetonitrile, 4-bromo- 2-(4-Bromophenyl)acetonitrile |
| CAS | 16532-79-9 |
| EINECS | 240-602-2 |
| InChI | InChI=1/C8H6BrN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5H2 |
| InChIKey | MFHFWRBXPQDZSA-UHFFFAOYSA-N |
4-bromobenzyl cyanide - Physico-chemical Properties
| Molecular Formula | C8H6BrN |
| Molar Mass | 196.04 |
| Density | 1.49 |
| Melting Point | 47-49 °C (lit.) |
| Boling Point | 116-118°C 3mm |
| Flash Point | >230°F |
| Water Solubility | slightly soluble |
| Appearance | White crystal |
| Color | Colorless to pale brown |
| Exposure Limit | NIOSH: IDLH 25 mg/m3 |
| BRN | 1861069 |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.6550 (estimate) |
| MDL | MFCD00001916 |
4-bromobenzyl cyanide - Risk and Safety
| Risk Codes | R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R36/37/38 - Irritating to eyes, respiratory system and skin. R20/21/22/36/37/39 - |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S38 - In case of insufficient ventilation, wear suitable respiratory equipment. S26/36/37/39 - |
| UN IDs | 3276 |
| WGK Germany | 3 |
| RTECS | AL8090000 |
| TSCA | Yes |
| HS Code | 29269090 |
| Hazard Note | Irritant |
| Hazard Class | 6.1 |
| Packing Group | III |
4-bromobenzyl cyanide - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| use | p-bromobenzene acetonitrile is a nitrile compound. Nitrile compounds are a kind of organic compounds containing cyano group (-CN) and are important organic synthesis intermediates. Due to the high reactivity of cyano group, the corresponding amine compounds can be prepared through hydrogenation reaction. It is an important raw material for the manufacture of medicine, pesticides, dyes, fragrances, surfactants, etc., and is widely used in various fields of the national economy. |
| Preparation | The suspension of 4-bromobenzyl bromide (5.00g,0.020 mol) and sodium cyanide (1.18g,0.024 mol,1.2 equivalents) in DMF-water (9:1,35 ml) was stirred at 40°C for 12 hours. The reaction mixture was quenched with water and extracted with EtOAc. The combined organic matter was successively washed with NaCl(sat) and dried with Na2SO4. Remove the solvent under reduced pressure to obtain 3.9g(89%) of the required product. |
| category | toxic substances |
| toxicity classification | highly toxic |
| acute toxicity | vein-mouse LD50: 56 mg/kg |
| flammability hazard characteristics | thermal decomposition discharges toxic nitrogen oxides, bromide and cyanide fumes |
| storage and transportation characteristics | warehouse ventilation and low temperature drying; Separate from food raw materials |
| fire extinguishing agent | water, dry powder, dry sand, carbon dioxide, foam, 1211 fire extinguishing agent |
Last Update：2024-04-10 22:29:15
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