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CAS RN: 75-91-2 | Product Number: B3153
tert-Butyl Hydroperoxide (70% in Water)
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Purity:
Synonyms:
- TBHP (70% in Water)
Product Documents:
| Size | Unit Price | Belgium | Japan* | Quantity |
Shipping Information
|
|---|---|---|---|---|---|
| 100G |
€22.00
|
18 | ≥100 |
|
* Stock available in Belgium: Shipment on the same day
* Stock available in Japan: Please check the Shipping Simulation for estimated shipments. (excludes regulated items and dry ice shipments)
| Product Number | B3153 |
| Molecular Formula / Molecular Weight | C__4H__1__0O__2 = 90.12 |
| Physical State (20 deg.C) | Liquid |
Storage Temperature 
|
Refrigerated (0-10°C) |
| Condition to Avoid | Heat Sensitive |
| CAS RN | 75-91-2 |
| Reaxys Registry Number | 1098280 |
| PubChem Substance ID | 87560345 |
| Merck Index (14) | 1570 |
| MDL Number | MFCD00002130 |
Specifications
| Appearance | Colorless to Almost colorless clear liquid |
| Concentration(Iodometric titration) | 65.0 to 71.0 w/w% |
| NMR | confirm to structure |
Properties (reference)
| Melting Point | -3 °C |
| Boiling Point | 89 °C |
| Flash point | 43 °C |
| Specific Gravity (20/20) | 0.94 |
| Refractive Index | 1.39 |
| Solubility in water | Soluble |
GHS
| Pictogram |
|
| Signal Word | Danger |
| Hazard Statements | H330 : Fatal if inhaled. H311 : Toxic in contact with skin. H302 : Harmful if swallowed. H314 : Causes severe skin burns and eye damage. H371 : May cause damage to organs. H372 : Causes damage to organs through prolonged or repeated exposure. H373 : May cause damage to organs through prolonged or repeated exposure. H317 : May cause an allergic skin reaction. H341 : Suspected of causing genetic defects. H336 : May cause drowsiness or dizziness. H411 : Toxic to aquatic life with long lasting effects. H226 : Flammable liquid and vapour. H242 : Heating may cause a fire. |
| Precautionary Statements | P273 : Avoid release to the environment. P260 : Do not breathe mist or vapours. P210 : Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking. P234 : Keep only in original packaging. P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection/ hearing protection. P370 + P378 : In case of fire: Use dry sand, dry chemical or alcohol-resistant foam to extinguish. P391 : Collect spillage. P303 + P361 + P353 : IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water. P304 + P340 + P310 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Immediately call a POISON CENTER/doctor. P305 + P351 + P338 + P310 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. Immediately call a POISON CENTER/doctor. P403 + P233 : Store in a well-ventilated place. Keep container tightly closed. |
Related Laws:
| EC Number | 200-915-7 |
| RTECS# | EQ4900000 |
Transport Information:
| UN Number | UN3109 |
| Class | 5.2 / 8 |
| HS Number | 2909609090 |
Application
TCI Practical Example: Synthesis of Benzylamide Using TBHP
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Used Chemicals
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Procedure
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To a solution of benzylamine (107 mg, 1.0 mmol) and cesium carbonate (326 mg, 3.0 mmol, 3.0 eq.) in acetonitrile (5 mL) was added TBHP (0.41 mL, 3.0 mmol, 3.0 eq.) at r.t. and the mixture was stirred at 80 °C for 17 hours. The reaction mixture was directly purified by column chromatography (on silica gel, ethyl acetate:hexane = 0:1 - 1:1) to give benzamide as a white solid (63 mg, 52% yield).
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Experimenter’s Comments
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The reaction mixture was monitored by UPLC.
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Analytical Data
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benzamide
1H NMR (270 MHz, CDCl3); δ 7.96 (m, 1H), 7.87 (d, 2H, J = 7.0 Hz), 7.54-7.28 (m, 4H).
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Lead Reference
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- Base promoted peroxide systems for the efficient synthesis of nitroarenes and benzamides
Application
Regio- and Stereoselective Halosulfonylation of Terminal Alkynes
Typical Procedure:
To a solution of sulfonylhydrazides (0.7 mmol), FeCl3·6H2O, or FeBr3 (1.0 mmol) in CH3CN (2 mL) are added alkynes (0.5 mmol) and TBHP (1.0 mmol, 70% water solution), and the mixture is stirred at 80 °C for 3 h. After removal of solvent under reduced pressure, the residue is purified by chromatography (petroleum : ethyl acetate = 20:1) to give the desired products.
To a solution of sulfonylhydrazides (0.7 mmol), FeCl3·6H2O, or FeBr3 (1.0 mmol) in CH3CN (2 mL) are added alkynes (0.5 mmol) and TBHP (1.0 mmol, 70% water solution), and the mixture is stirred at 80 °C for 3 h. After removal of solvent under reduced pressure, the residue is purified by chromatography (petroleum : ethyl acetate = 20:1) to give the desired products.
References
PubMed Literature
Documents
Product Articles
[Product Highlights] BHA Ligands for the Synthesis of Optically Active Epoxyalcohols[Research Articles] Regio- and Stereoselective Halosulfonylation of Terminal Alkynes
Product Documents (Note: Some products will not have analytical charts available.)
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