peroxol; urea

• ChemBase编号: 126396
• 分子式: CH6N2O3
• 平均质量: 94.06994
• 单一同位素质量: 94.03784206
• SMILES: O=C(N)N.OO
• Canonical SMILES: NC(=O)N.OO
• InChI: InChI=1S/CH4N2O.H2O2/c2-1(3)4;1-2/h(H4,2,3,4);1-2H
• InChIKey: AQLJVWUFPCUVLO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: peroxol; urea
• IUPAC传统名: hydrogen peroxide; urea
• 别名: 脲过氧化氢加合物; 过氧化尿素; 过氧化氢尿素 水合物; 过氧化脲; 过碳酰胺; 过氧化氢尿素加合物; 过氧化氢尿素加合物; 过氧化脲; 过氧化氢合尿素; Hydrogen peroxide urea adduct; Urea hydrogen peroxide adduct; Hydrogen peroxide–Urea adduct; Carbamide Per hydrate; Carbamide peroxide; Hydrogen peroxide-Urea adduct; Percarbamide; Urea hydrogen peroxide; Urea hydrogen peroxide; Hydrogen peroxide-Urea adduct; Carbamide peroxide

登记号

• CAS号: 124-43-6
• EC号: 204-701-4
• MDL号: MFCD00013119
• Beilstein号: 3680414
• 默克索引号: 141782
• PubChem SID: 162220730; 24900683; 24845644; 24857388; 24890129
• PubChem CID: 31294
• ATC码: D02AE01
• Chemspider ID: 29034
• 美国药典/FDA物质标识码: 31PZ2VAU81
• 维基百科标题: Carbamide_peroxide

理论计算性质

• Acid pKa: 15.731965
• 质子受体: 1
• 质子供体: 2
• LogD (pH = 5.5): -1.3638339
• LogD (pH = 7.4): -1.3638339
• Log P: -1.3638339
• 摩尔折射率: 13.1426 cm^3
• 极化性: 5.02445 Å^3
• 极化表面积: 69.11 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: H2O: soluble0.5 g/mL, clear to very faintly hazy
• 外观: powder; tablet; tablets (1 g each); White solid
• 熔点: 75 - 85°C; 85-90 °C (dec.); 90-93 °C(lit.); ca 90°C dec.
• 蒸汽压: 23.3 mmHg ( 30 °C)

安全信息

• 保存注意事项: Hygroscopic
• RTECS编号: T4860000
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 爆炸性(Explosive) (E); 氧化性(Oxidising) (O); 刺激性(Irritant) (Xi)
• 联合国危险货物编号: 1511; UN1511
• 德国WGK号: 2
• 联合国危险货物等级: 5.1
• 联合国危险货物包装类别(PG): 3; III
• 危险公开号: 36/37/38; 8-34
• 安全公开号: 17-20-26-36/37/39-45-60; 17-26-36/37/39-45; 26-36
• TSCA收录: 是
• GHS危险品标识: GHS03; GHS05
• GHS警示词: Danger
• GHS危险声明: H272-H314; H272-H314-H318
• GHS警示性声明: P220-P280-P305 + P351 + P338-P310; P221-P210-P303+P361+P353-P305+P351+P338-P405-P501A
• 个人保护装置: 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
• RID/ADR: UN 1511 5.1/PG 3
• 保存温度: 2-8°C

药理学性质

• 给药途径: topical
• 妊娠期药物分类: C (US)

产品相关信息

• 纯度: ~30% H2O2 basis; ≥97%; 15-17% active oxygen basis; 16-17% active oxygen basis; 97%
• 级别: purum p.a.
• 主要成分: active oxygen, 15-17%; H2O2, ~35%
• 产品质量级别: CUSTOM
• 品质说明: "rapid-soluble"
• 线性分子式: CO(NH2)2 · H2O2

详细说明

Sigma Aldrich - U1753

Application
A relatively stable source of hydrogen peroxide for preparation of solutions.
Other Notes
An addition compound of urea and hydrogen peroxide.

Sigma Aldrich - U8879

Quantity
One tablet will provide the equivalent of 1.75 mg of H2O2.
Reconstitution
When dissolved in 12.5 mL deionized water, one tablet yields a solution containing 0.014% H2O2.
Specificity
Urea Hydrogen Peroxide Tablets provide a safe and convenient source of H2O2 for use in enzyme immunoassay and other procedures.

Sigma Aldrich - 95314

Application
Reactant which undergoes solid-state decomposition as a source of peroxide1Reactant used as an oxidant2,3,4

Sigma Aldrich - 289132

Application
与 N-卤代琥珀酰亚胺配合用于羰基化合物的高效 α-卤化作用的过氧化物。1与甲基三氧化铼 (412910) 配合用于亚胺的轻度氧化，生成硝酮。2也用于将碘代芳烃氧化为高价碘化合物。3
包装
100, 250 g in poly bottle
5 g in glass bottle

Sigma Aldrich - 95307

Other Notes
Safe alternative to anhydrous hydrogen peroxide in various oxidation reactions1

Sigma Aldrich - 04078

Application
Reactant which undergoes solid-state decomposition as a source of peroxide1Reactant used as an oxidant2,3,4

参考文献

• For use in partial oxidation of nitriles to amides, see: Synth. Commun., 23, 3149 (1993).
• In combination with phthalic anhydride is an effective mild and safe oxidant for N-heteroaromatic compounds and tertiary amines to N-oxides: Chem. Ber., 125, 1965 (1992)
• Useful, low-hazard alternative to high-concentration H₂O₂ in epoxidations, Baeyer-Villiger reactions, N-oxidations, etc.: Synlett, 533 (1990). Alkenes can be epoxidized in high yield in 1,1,1,3,3,3-Hexafluoro-2-propanol, A12747 as solvent: Eur. J. Org. Chem., 3290 (2002). For use in combination with N,N'-Dicyclohexylcarbodiimide, A10973, in epoxidation of alkenes, see: J. Org. Chem., 63, 1730 (1998); in combination with Maleic anhydride, A12178, for epoxidation and Baeyer-Villiger reactions: Heterocycles, 36, 1075 (1993). For an extensive review of the Baeyer-Villiger reaction, see: Org. React., 43, 251 (1993).
• Can be used to generate the powerful oxidant peroxytrifluoroacetic acid from TFAA, avoiding the use of hazardous 90% H₂O₂: Tetrahedron Lett., 33, 4835 (1992). The same system has also been reported for oxidation of electron-deficient pyridines to the N-oxides: Tetrahedron Lett., 41, 2299 (2000). Similarly, performic acid can be generated in situ, providing a mild system for oxidation of aromatic aldehydes to benzoic acids: Synth. Commun., 31, 2195 (2001). See also Sodium percarbonate, A16045.