bis(pyridin-1-ium) [(oxidodioxochromio)oxy]chromiumoylolate

• ChemBase编号: 90207
• 分子式: C10H12Cr2N2O7
• 平均质量: 376.20368
• 单一同位素质量: 375.94546573
• SMILES: O([Cr](=O)(=O)[O-])[Cr](=O)(=O)[O-].[nH+]1ccccc1.[nH+]1ccccc1
• Canonical SMILES: c1ccc[nH+]c1.c1ccc[nH+]c1.[O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-]
• InChI: InChI=1S/2C5H5N.2Cr.7O/c2*1-2-4-6-5-3-1;;;;;;;;;/h2*1-5H;;;;;;;;;/q;;;;;;;;;2*-1/p+2
• InChIKey: LMYWWPCAXXPJFF-UHFFFAOYSA-P

名称和登记号

名称

• IUPAC标准名: bis(pyridin-1-ium) [(oxidodioxochromio)oxy]chromiumoylolate
• IUPAC传统名: bis(pyridium) chromate
• 别名: 硅胶负载 PDC; 硅胶负载重铬酸吡啶盐; 重铬酸吡啶鎓; Pyridinium dichromate; Cornforth reagent; PDC on silica; Pyridinium dichromate on silica gel; PDC; Pyridinium dichromate; Pyridinium dichromate

登记号

• CAS号: 20039-37-6
• EC号: 243-478-8
• MDL号: MFCD00013105; MFCD04041078
• PubChem SID: 162077045; 24880523
• PubChem CID: 2724130
• Chemspider ID: 2006289
• 维基百科标题: Cornforth_reagent

理论计算性质

• Acid pKa: -2.30103
• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): -8.234395
• LogD (pH = 7.4): -8.2344
• Log P: -3.7068
• 摩尔折射率: 10.0076 cm^3
• 极化性: 11.546313 Å^3
• 极化表面积: 123.63 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: soluble in water
• 外观: orange to brown solid
• 熔点: 152-153°C; ca 145-147°C
• 沸点: 145–147 °C
• 密度: 1.713

安全信息

• 保存注意事项: Highly Flammable/Oxidising Agent/Corrosive/Carcinogenic/Hygroscopic/Store under Argon; Hygroscopic
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 氧化性(Oxidising) (O); Oxidizing (O); 有毒(Toxic) (T); Toxic (T)
• 联合国危险货物编号: 3077; UN3087
• 德国WGK号: 2
• 联合国危险货物等级: 5.1; 9
• 联合国危险货物包装类别(PG): 3; II
• 危险公开号: 49-34-50/53; 49-8-43-50/53; R8 R43 R49 R50
• 安全公开号: 53-17-20-24-37-45-57; 53-26-36/37/39-45-61; S17 S20 S24 S37 S45 S53 S57
• TSCA收录: 是
• GHS危险品标识: GHS03; GHS05; GHS07; GHS08; GHS09
• GHS警示词: Danger
• GHS危险声明: H272-H314-H350i-H400-H411; H350-H400-H410-H317
• GHS警示性声明: P201-P220-P273-P280-P305 + P351 + P338-P310; P261-P280-P302+P352-P321-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 3077 9/PG 3
• 保存温度: 2-8°C

产品相关信息

• 纯度: 98%
• 颗粒大小: 200-400 mesh
• 标签扩展内容: 20 wt. % silica gel loading

详细说明

Sigma Aldrich - 569828

包装
25, 100 g in glass bottle

参考文献

• Selective oxidant which can be used in dichloromethane to convert primary alcohols to aldehydes: Tetrahedron Lett., 399 (1979). Can also be used catalytically in combination with Sodium percarbonate, A16045, as co-oxidant for conversion of allylic and benzylic alcohols to aldehydes under phase-transfer conditions: Tetrahedron Lett., 35, 1989 (1994). Under the same conditions, ɑ-functionalized benzylic alcohols undergo oxidative cleavage: Synth. Commun., 25, 2051 (1995).