bis(tetrabutylazanium) [(oxidodioxochromio)oxy]chromiumoylolate

• ChemBase编号: 140242
• 分子式: C32H72Cr2N2O7
• 平均质量: 700.91548
• 单一同位素质量: 700.41496765
• SMILES: CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.[O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-]
• Canonical SMILES: [O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-].CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC
• InChI: InChI=1S/2C16H36N.2Cr.7O/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;;;;;;;/h2*5-16H2,1-4H3;;;;;;;;;/q2*+1;;;;;;;;2*-1
• InChIKey: MMKQSIQNDMIVIN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: bis(tetrabutylazanium) [(oxidodioxochromio)oxy]chromiumoylolate
• IUPAC传统名: bis(tetrabutylammonium) chromate
• 别名: 四丁基铵重铬酸盐; 双四丁基铵重铬酸盐; TBADC; Tetrabutylammonium dichromate; Bis(tetrabutylammonium) dichromate

登记号

• CAS号: 56660-19-6
• EC号: 260-315-6
• MDL号: MFCD00013104
• PubChem SID: 24853415; 24849156; 162234486
• PubChem CID: 11767684

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 1.3234289
• LogD (pH = 7.4): 1.3234289
• Log P: 1.3234289
• 摩尔折射率: 91.3961 cm^3
• 极化性: 31.734425 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 26
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 139-142 °C; 139-143 °C(lit.)

安全信息

• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 氧化性(Oxidising) (O); 有毒(Toxic) (T)
• 联合国危险货物编号: 1479
• 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): 2
• 危险公开号: 49-8-43-50/53
• 安全公开号: 53-45-60-61
• GHS危险品标识: GHS03; GHS07; GHS09
• GHS警示词: Danger
• GHS危险声明: H272-H317-H400
• GHS警示性声明: P220-P273-P280
• 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 1479 5.1/PG 2

产品相关信息

• 纯度: ≥97.0% (C); 99%
• 级别: purum
• 线性分子式: [(CH3CH2CH2CH2)4N]2Cr2O7

详细说明

Sigma Aldrich - 223964

包装
10 g in glass bottle
Application
Reagent for:
• Preparation of nitrophenol derivatives and quinones under aprotic reaction conditions1
• Conversion of oximes to carbonyl compounds under microwave irradiation2
• Catalyst precursor for catalytic gas phase dehydration of acetic acid to ketene3
• Crosslinking agent4

Sigma Aldrich - 15165

Other Notes
用于有机溶剂中氧化反应的简便试剂，例如烷基卤转化为醛和酮5；以及羟基化合物转化为醛和酮6
Application
Reagent for:
• Preparation of nitrophenol derivatives and quinones under aprotic reaction conditions1
• Conversion of oximes to carbonyl compounds under microwave irradiation2
• Catalyst precursor for catalytic gas phase dehydration of acetic acid to ketene3
• Crosslinking agent4