benzoyl benzenecarboperoxoate

• ChemBase ID: 108428
• Molecular Formular: C14H10O4
• Molecular Mass: 242.2268
• Monoisotopic Mass: 242.0579088
• SMILES: O=C(OOC(=O)c1ccccc1)c1ccccc1
• Canonical SMILES: O=C(c1ccccc1)OOC(=O)c1ccccc1
• InChI: InChI=1S/C14H10O4/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h1-10H
• InChIKey: OMPJBNCRMGITSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzoyl benzenecarboperoxoate
• IUPAC Traditional name: fostex
• Synonyms: Luperox® A75, Benzoyl peroxide; Benzoyl peroxide, blend in tricresyl phosphate; Luperox® ATC50, Benzoyl peroxide; BPO; Benzoyl peroxide moistened with water; Diacyl peroxide; Luperox® A75FP, Benzoyl peroxide, 75% remainder water; Benzoyl peroxide, blend in dibutyl phthalate; Luperox® AFR40, Benzoyl peroxide solution; BENZOYL PEROXIDE; benzoyl peroxide; Benzoyl peroxide; Dibenzoyl peroxide; Luperox® A70S, Benzoyl peroxide; Benzoyl peroxide blend with dicyclohexyl phthalate; Luperox® A98, Benzoyl peroxide; Luperox® A75, 过氧化苯甲酰; 过氧化苯甲酰，与磷酸三甲苯酯的混合物; Luperox® ATC50, 过氧化苯甲酰; Luperox® A75FP, 过氧化苯甲酰; 过氧化苯甲酰，与邻苯二甲酸二丁酯的混合物; Luperox® AFR40, 过氧化苯甲酰 溶液; 过氧化二苯甲酰; 过氧化苯甲酰; 过氧化苯甲酰; Luperox® A70S,过氧化苯甲酰; 过氧化苯甲酰与邻苯二甲酸二环己酯的混合物; Luperox® A98

Database IDs

• CAS Number: 94-36-0
• EC Number: 202-327-6
• MDL Number: MFCD00003071
• Beilstein Number: 984320
• Merck Index: 141116
• PubChem SID: 24850840; 24844989; 24873692; 24882501; 24873694; 162094391; 24873693; 24891878; 24873984
• PubChem CID: 7187
• ATC CODE: QD11AX90; D10AE01
• CHEMBL: 1200370
• Chemspider ID: 6919
• KEGG ID: D03093
• Unique Ingredient Identifier: W9WZN9A0GM
• Wikipedia Title: Benzoyl_peroxide

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.9469323
• LogD (pH = 7.4): 3.9469323
• Log P: 3.9469323
• Molar Refractivity: 64.7732 cm^3
• Polarizability: 25.079407 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: poor in water
• Apperance: colourless solid; powder
• Melting Point: 102-105 °C; 103 °C(lit.); 103–105 °C decomp.; 103-105°C; 105 °C(lit.)
• Flash Point: 110 °C; 203 °F; 230 °F; 95 °C
• Auto Ignition Point: 176 °F; 80 °C
• Density: 1.16 g/mL at 25 °C(lit.); 1.334 g/cm^3

Safety Information

• RTECS: DM8575000
• European Hazard Symbols: Explosive (E); Nature polluting (N); Oxidising (O); Toxic (T); Irritant (Xi)
• UN Number: 3102; 3104; 3106; 3108; UN3104
• German water hazard class: 1; 2; 3
• Hazard Class: 5.2
• Risk Statements: 1-7-36-43; 2-36-43; 3-7-36/37/38-43; 3-7-36-39/23/24/25-43-51/53; 3-7-36-43; 61-7-36-43-50-62; 7-36/37/38; R:2-36-43; R3, R7, R36, R43
• Safety Statements: 14.1-3/7-36/37/39; 3/7-14-24-26-37/39-60; 3/7-14-26-35-36/37/39; 3/7-14-26-35-36/37/39-61; 53-3/7-14-26-35-36/37/39-45-61; 7-14.1-26-35-36/37/39-45-47; 7-14-26-35-36/37/39-45-47; 7-14-26-36/37/39; S:14-36/37/39-3/7; S2, S3/7, S14, S36/37/39
• TSCA Listed: 是
• EU Index: 617-008-00-0
• GHS Pictograms: GHS01; GHS02; GHS07; GHS08; GHS09
• GHS Signal Word: Danger; Warning
• NFPA704:
  

  1

  3

  3

  ox
• GHS Hazard statements: H241-H315-H317-H319-H335; H241-H317-H319-H334; H242-H315-H317-H319-H335; H242-H317-H319; H242-H317-H319-H360Df-H400; H242-H319-H317; H317-H319-H400-H412
• GHS Precautionary statements: P201-P220-P273-P280-P305 + P351 + P338-P308 + P313; P210-P305+P351+P338-P302+P352-P321-P410-P501A; P220-P261-P280-P305 + P351 + P338-P342 + P311-P411 + P235; P220-P261-P280-P305 + P351 + P338-P410; P220-P261-P280-P305 + P351 + P338-P411 + P235; P220-P280-P305 + P351 + P338-P410-P410 + P412-P420; P220-P280-P305 + P351 + P338-P410-P411 + P235-P420; P273-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges; dust mask type N95 (US), Eyeshields, Faceshields, Gloves; dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges; Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges; Eyeshields, Faceshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• RID/ADR: UN 3102 5.2; UN 3104 5.2; UN 3106 5.2; UN 3108 5.2
• Storage Temperature: 2-8°C

Pharmacology Properties

• Admin Routes: topical
• Legal Status: OTC (US)
• Pregnancy Category: C (US)
• US Licence: Benzoyl+peroxide

Product Information

• Purity: ~50% (T); ≥97.0% (calc. based on dry substance, RT); ≥98%; ≥98.0% dry basis; 70%; 75%; 97% (dry wt.), wet with 25% water
• Concentration: ~50 wt. % in tricresyl phosphate; 40 wt. % in dibutyl phthalate
• Grade: purum; reagent grade; SAJ first grade; technical
• Packaging: vial of 9.9 g
• Impurities: ≤0.5% water
• Contains: ~25% water as stabilizer; ~30% water as stabilizer; 25 wt. % water as stabilizer; 50% dicyclohexyl phthalate as stabilizer
• Quality: moistened with water
• Linear Formula: (C6H5CO)2O2
• Empirical Formula (Hill Notation): C14H10O4

DETAILS

MP Biomedicals - 05207314

MP Biomedicals Rare Chemical collection

Sigma Aldrich - B5907

Linkage
Formulated specifically for use with Histocryl and LR white acrylic resins.

Sigma Aldrich - B2030

Application
Polymerization initiator for polyester and acrylic resins.
聚合工艺中广泛应用的引发剂、固化剂和交联剂。

Sigma Aldrich - 517909

Application
Widely used initiator, curing agent, and cross-linking agent in polymerization processes.
Packaging
5, 100, 500 g in poly bottle
Legal Information
Product of Arkema Inc.
Luperox is a registered trademark of Arkema Inc.

Sigma Aldrich - 513466

Application
Polymerization initiator
Packaging
500 mL in poly bottle
Legal Information
Product of Arkema Inc.
Luperox is a registered trademark of Arkema Inc.

Sigma Aldrich - 513431

Application
Polymerization initiator.
Packaging
500 g in poly bottle
Legal Information
Product of Arkema Inc.
Luperox is a registered trademark of Arkema Inc.

Sigma Aldrich - 632651

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Application
Widely used initiator, curing agent, and cross-linking agent in polymerization processes.
Packaging
500 g in poly bottle
Legal Information
Luperox is a registered trademark of Arkema Inc.

Sigma Aldrich - 179981

Application
Widely used initiator, curing agent, and cross-linking agent in polymerization processes.
Packaging
50, 500 g in poly bottle
Legal Information
Product of Arkema Inc.
Luperox is a registered trademark of Arkema Inc.

Sigma Aldrich - 03-1565

Application
Widely used initiator, curing agent, and cross-linking agent in polymerization processes.

Sigma Aldrich - 00213

Packaging
in inert filler with plasticizer (dicyclohexyl phthalate)
Application

• Oxidizing agent1,2
• Crosslinking agent3
• Oxidizer in palladium-catalyzed oxidative allylic C-H silylation4

Sigma Aldrich - 513474

Packaging
500 g in poly bottle
Legal Information
Luperox is a registered trademark of Arkema Inc.
Other Notes
Self Accelerating Decomposition Temperature (SADT): 106 °F

Sigma Aldrich - 33581

Application
Widely used initiator, curing agent, and cross-linking agent in polymerization processes.

REFERENCES

• Free-radical initiator for a wide variety of homolytic reactions, e.g. halogenations with bromine or NBS.