alpha-Bromophenylmethane
Benzyl bromide
CAS: 100-39-0
Molecular Formula: C7H7Br
alpha-Bromophenylmethane - Names and Identifiers
| Name | Benzyl bromide |
| Synonyms | ai3-15300 α-Bromotoluene Benzyl bromide 1-Bromotoluene alpha-bromo-toluen Bromophenylmethane ALPHA-BROMOTOLUENE alpha-Bromotoluene (bromomethyl)-benzen (bromomethyl)benzene ALPHA-BROMOPHENYLMETHANE alpha-Bromophenylmethane ??benzyl bromide? (100-39-0?)?? 3b-Hydroxy-5A-Androstane-17-ONE Benzyl bromide, (a-Bromotoluene) |
| CAS | 100-39-0 |
| EINECS | 202-847-3 |
| InChI | InChI=1/C7H7Br/c8-6-7-4-2-1-3-5-7/h1-5H,6H2 |
| InChIKey | AGEZXYOZHKGVCM-UHFFFAOYSA-N |
alpha-Bromophenylmethane - Physico-chemical Properties
| Molecular Formula | C7H7Br |
| Molar Mass | 171.03 |
| Density | 1.44g/mLat 20°C |
| Melting Point | -3 °C |
| Boling Point | 198-199°C(lit.) |
| Flash Point | 188°F |
| Solubility | Miscible with benzene, carbon tetrachloride, ethanol and ether. |
| Vapor Presure | 0.5 hPa (20 °C) |
| Vapor Density | 5.8 (vs air) |
| Appearance | Liquid |
| Color | Clear colorless to yellow |
| Odor | Very sharp, pungent, like tear gas. |
| Merck | 14,1128 |
| BRN | 385801 |
| Storage Condition | Store below +30°C. |
| Stability | Stable. Combustible. Incompatible with strong oxidizing agents. |
| Sensitive | Moisture Sensitive/Light Sensitive |
| Refractive Index | n20/D 1.575(lit.) |
| Physical and Chemical Properties | a colorless liquid having a strong refractive index and having a flavor. |
| Use | For organic synthesis and as a foam and yeast preservative |
alpha-Bromophenylmethane - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S39 - Wear eye / face protection. S2 - Keep out of the reach of children. |
| UN IDs | UN 1737 6.1/PG 2 |
| WGK Germany | 2 |
| RTECS | XS7965000 |
| FLUKA BRAND F CODES | 9-19-21 |
| TSCA | Yes |
| HS Code | 2903 99 80 |
| Hazard Class | 6.1 |
| Packing Group | II |
| Toxicity | dns-esc 1300 mmol/L ZKKOBW 92,177,78 |
alpha-Bromophenylmethane - Reference Information
Open Data Unverified Data
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| Benzyl halide | Benzyl bromide, also known as benzyl bromide, is an aromatic compound in which the benzene ring is replaced by bromomethyl group. It is produced by the reaction of toluene and bromine in the presence of an oxidant. It is one of the pungent compounds of benzyl halide. The pure product is a colorless liquid with a stimulating smell. The boiling point is 198~199°C, and the volatility is 3.44 mg/L at 20°C. Insoluble in water, easily soluble in most organic solvents. It has a strong tear gas effect and an uncomfortable pungent smell, with a minimum stimulation concentration of 4 mg/m 3 and an intolerable concentration of 50~60 mg/m 3. If air circulation is not maintained, it will irritate the respiratory tract and skin, causing dermatitis and urticaria, sticking to the eyes. Inhalation of high concentrations of benzyl bromide vapor can cause temporary chest tightness, bronchitis and pulmonary edema. Because of these characteristics, it is often used as a gas weapon in war. Used as a tear gas during the First World War. Benzyl bromide can be used as a protective group for alcohols and carboxylic acid groups in organic synthesis, such as protecting alcohol hydroxyl groups to form ethers, and protecting carboxyl groups to form ester bonds. The reaction equation is as follows: ROH C6H5CH2Br R'3N → ROCH2C6H5 R'3N.HBr RCOOH C6H5CH2Br R'3N → RCOOCH2C6H5 R'3N.HBr but the removal of benzyl bromide after the reaction is over, it should be noted that benzyl bromide is often used to protect the hydroxyl group, and a large amount of benzyl bromide or benzyl alcohol remains in the mother liquor after repeated recrystallization, resulting in a large benzyl bromide flavor of the precipitated solid or the filtrate cannot be removed during filtration, moreover, the presence of benzyl bromide affects the yield of the product, and many products cannot be precipitated when dissolved in benzyl bromide. If it passes through the column, the viscous solution is always on the column when the sample is taken, and the pressure cannot be pressed into the silica gel. Recommended removal method: When the raw material reaction is detected, add triethylamine and continue heating the reaction until the benzyl bromide disappears, and then wash off the quaternary ammonium salt. This law should work for many reactions. |
| Use | Used in organic synthesis and as a foam agent and yeast preservative Used in the manufacture of foaming agents, and also used as organic synthesis intermediates Raw materials for organic synthesis intermediates and foaming agents. Benzyl bromide is an organic synthesis intermediate, mainly used as a raw material for foaming agent. Benzyl bromide is used in organic synthesis and foaming agent manufacturing; used as foam agent and yeast preservative. |
| Production method | is obtained by bromination of toluene. Toluene is heated to 50 ℃, bromine is added for reaction, the reaction temperature is 75-80 ℃, the reaction is 6h, the fraction before 140 ℃ is removed by fractional distillation at normal pressure, and then the fraction before 112-114 ℃(2.0kPa) is collected to obtain benzyl bromine. |
| category | toxic substances |
| toxicity classification | highly toxic |
| acute toxicity | inhalation-cat concentration 29PPM (15 minutes), death after three days |
| explosive hazard characteristics | corrosive effect on skin, eyes and mucous membranes |
| flammability hazard characteristics | flammability; reaction with molecular sieve or high heat to release toxic bromide gas; high-dose use causes central nervous system inhibition |
| storage and transportation characteristics | warehouse ventilation and low temperature drying; Store separately from oxidants and food additives |
| fire extinguishing agent | foam, mist water, sand, carbon dioxide |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 19:43:38
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