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CAS RN: 75-91-2 | Product Number: B3153

tert-Butyl Hydroperoxide (70% in Water)


Purity:
Synonyms:
  • TBHP (70% in Water)
Product Documents:
100G
$30.00
31   4   ≥100 

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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%
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 Pictogram Pictogram Pictogram Pictogram Pictogram 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 vapor.
H242 : Heating may cause a fire.
Precautionary Statements P501 : Dispose of contents/ container to an approved waste disposal plant.
P273 : Avoid release to the environment.
P260 : Do not breathe dust/ fume/ gas/ mist/ vapors/ spray.
P270 : Do not eat, drink or smoke when using this product.
P202 : Do not handle until all safety precautions have been read and understood.
P240 : Ground/bond container and receiving equipment.
P220 : Keep/Store away from clothing/ combustible materials.
P210 : Keep away from heat/sparks/open flames/hot surfaces. No smoking.
P233 : Keep container tightly closed.
P234 : Keep only in original container.
P201 : Obtain special instructions before use.
P243 : Take precautionary measures against static discharge.
P241 : Use explosion-proof electrical/ ventilating/ lighting/ equipment.
P242 : Use only non-sparking tools.
P271 : Use only outdoors or in a well-ventilated area.
P264 : Wash skin thoroughly after handling.
P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection.
P284 : Wear respiratory protection.
P272 : Contaminated work clothing must not be allowed out of the workplace.
P370 + P378 : In case of fire: Use dry sand, dry chemical or alcohol-resistant foam to extinguish.
P391 : Collect spillage.
P308 + P313 : IF exposed or concerned: Get medical advice/ attention.
P308 + P311 : IF exposed or concerned: Call a POISON CENTER/doctor.
P303 + P361 + P353 : IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water/shower.
P333 + P313 : If skin irritation or rash occurs: Get medical advice/ attention.
P301 + P330 + P331 : IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P362 : Take off contaminated clothing and wash before reuse.
P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.
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.
P410 : Protect from sunlight.
P420 : Store away from other materials.
P403 + P233 : Store in a well-ventilated place. Keep container tightly closed.
P403 + P235 : Store in a well-ventilated place. Keep cool.
P405 : Store locked up.
Related Laws:
RTECS# EQ4900000
Transport Information:
UN Number (DOT-AIR) UN3109
Class (DOT-AIR) 5.2/8
HS Number 2909.60.5000
Application
TCI Practical Example: Synthesis of Benzylamide Using TBHP

TCI Practical Example: Synthesis of Benzylamide Using TBHP

Used Chemicals

Procedure

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).

Experimenter’s Comments

The reaction mixture was monitored by UPLC.

Analytical Data

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).

Lead Reference


Application
Regio- and Stereoselective Halosulfonylation of Terminal Alkynes

B3153

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.

References


PubMed Literature


Articles/Brochures

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