Dibenzyl peroxydicarbonate
Basic information
- CAS
2144-45-8- Standard SMILES
O=C(OCc1ccccc1)OOC(=O)OCc1ccccc1- InChIKey
IAWYWVVBKGWUEP-UHFFFAOYSA-N- Molecular formula
- C16H14O6
- Average molar mass
- 302.28 g/mol
- Monoisotopic mass
- 302.07903816
Overview
This solid peroxide is sensitive to heat. Storage of this material must be done so with stringent temperature control measures. Its explosion hazard is also mitigated by mixing the peroxide in a water slurry.
Names & identifiers
- Preferred name
- Dibenzyl peroxydicarbonate
- IUPAC
- benzyl phenylmethoxycarbonyloxy carbonate
- English name
- Diphenylmethyl peroxydicarbonate
- Molecular formula
- C16H14O6
- Molecular weight
- 302.28
Names & synonyms
dibenzyl peroxydicarbonatePeroxydicarbonic acid, C,C'-bis(phenylmethyl) esterDIBENZYL PEROXYDICARBONATE, (<= 87% WITH WATER)DIBENZYL PEROXYDICARBONATE, [<= 87% WITH WATER]RefChem:586442PEROXYDICARBONIC ACID, DIBENZYL ESTERPeroxydicarbonic acid, bis(phenylmethyl) esterbenzyl phenylmethoxycarbonyloxy carbonate2144-45-8Bisbenzyl peroxydicarbonateHA86UR6MBTUNII-HA86UR6MBT
Show more names
Dibenzyl perdicarbonatePeroxydicarbonic acid dibenzylPeroxydicarbonic acid dibenzyl ester[α,β-Peroxy]dicarbonic acid dibenzyl esterdibenzyl peroxydicarbonate, <= 87% with waterDiphenylmethyl peroxydicarbonate(not more than 87%,with water)benzyl phenylmethoxycarbonyloxy carbonate[content ≤87%, water content]
EINECS 218-406-3Dibenzyl peroxydicarbonate, >87% with waterDibenzyl peroxydicarbonate, >87% with water [Forbidden]NSC617286SCHEMBL454115Diphenylmethyl peroxydicarbonateCHEMBL1972427DTXSID4075295
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 311
Experimental & physicochemical properties
Physical DescriptionThis solid peroxide is sensitive to heat. Storage of this material must be done so with stringent temperature control measures. Its explosion hazard is also mitigated by mixing the peroxide in a water slurry.
Physicochemical properties
- Melting point
- 101 °C · 101 °C (decomp)
- Boiling point
- 403.32 °C · 403.32°C (rough estimate)
- Density
- 1.3128 · 1.3128 (rough estimate)
- refractive index
- 1.4795 · 1.4795 (estimate)
- FDA UNII
- 86 UR6MBT · HA86UR6MBT
- EPA Substance Registry System
- Peroxydicarbonic acid, bis(phenylmethyl) ester (2144-45-8)
- RIDADR
- 3114 · 3114
- HazardClass
- 5.2 · 5.2
- PackingGroup
- II
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
DOT LabelOrganic Peroxide
Fire HazardsExcerpt from ERG Guide 148 [Organic Peroxides (Heat and Contamination Sensitive / Temperature Controlled)]:
Health HazardsExcerpt from ERG Guide 148 [Organic Peroxides (Heat and Contamination Sensitive / Temperature Controlled)]:
Reactive GroupPeroxides, Organic
Reactivity AlertsExplosive
Reactivity Profile
DIBENZYL PEROXYDICARBONATE decomposes violently or explosively at temperatures 0-10 °C. owing to self-accelerating exothermic decomposition; Several explosions were due to shock, heat or friction; amines and certain metals can cause accelerated decomposition [Bretherick, 1979 p. 156]. Danger of explosion when dry
DOT Hazard Classification
Dibenzyl peroxydicarbonate, with more than 87 percent with water
Forbidden explosives/materials (49 eCFR § 173.54/§ 173.21)
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
Safety & protection
Fire FightingExcerpt from ERG Guide 148 [Organic Peroxides (Heat and Contamination Sensitive / Temperature Controlled)]:
First AidExcerpt from ERG Guide 148 [Organic Peroxides (Heat and Contamination Sensitive / Temperature Controlled)]:
Chemistry & industry
Applications
General DescriptionDiphenylmethyl peroxydicarbonate(not more than 87%,with water) is sensitive to heat. Storage of Diphenylmethyl peroxydicarbonate(not more than 87%,with water) must be done so with stringent temperature control measures. Its explosion hazard is also mitigated by mixing the peroxide in a water slurry.
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Compound notes
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