diammonium [(oxidodioxochromio)oxy]chromiumoylolate

• ChemBase编号: 125818
• 分子式: Cr2H8N2O7
• 平均质量: 252.06492
• 单一同位素质量: 251.91416561
• SMILES: [O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-].[NH4+].[NH4+]
• Canonical SMILES: [O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-].[NH4+].[NH4+]
• InChI: InChI=1S/2Cr.2H3N.7O/h;;2*1H3;;;;;;;/q;;;;;;;;;2*-1/p+2
• InChIKey: JOSWYUNQBRPBDN-UHFFFAOYSA-P

名称和登记号

名称

• IUPAC标准名: diammonium [(oxidodioxochromio)oxy]chromiumoylolate
• IUPAC传统名: diammonium chromate
• 别名: 重铬酸铵, ACS; 重铬酸铵; Ammonium dichromate, ACS; Ammonium dichromate; Ammonium bichromate; Ammonium pyrochromate; Ammonium dichromate

登记号

• CAS号: 7789-09-5
• EC号: 232-143-1
• MDL号: MFCD00010879
• 默克索引号: 14515
• PubChem SID: 162220164
• PubChem CID: 24600
• Chemspider ID: 23002
• 维基百科标题: Ammonium_dichromate

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: 18.2 g/100 mL (0 °C) ; 26.67 g/100 mL (20 °C) ; 156 g/100 mL (100 °C) in water; Freely soluble in water; insoluble in acetone; soluble in alcohol
• 外观: Crystalline; Orange-red crystals
• 熔点: 170°C dec.; 180 °C (decomp.)
• 自燃点: 190 °C
• 密度: 2.115 g/cm^3

安全信息

• RTECS编号: HX7650000
• 欧盟危险性物质标志: Carc. Cat. 2; Corrosive (C); Dangerous for the environment (N); Explosive (E); Harmful (Xn); Muta. Cat. 2; Oxidant (O); Repr. Cat. 2; Very toxic (T+)
• 联合国危险货物编号: 1439; UN1439
• 联合国危险货物等级: 5.1
• 联合国危险货物包装类别(PG): II
• 危险公开号: 45-46-60-61-2-8-21-25-26-34-42/43-48/23-50/53; R45, R46, R60, R61, R2, R8, R21, R25, R26, R34, R42/43, R48/23, R50/53
• 安全公开号: 53-45-60-61; S53, S45, S60, S61
• TSCA收录: 是
• 欧盟危险品索引: 024-003-00-1
• GHS危险品标识: GHS01; GHS03; GHS05; GHS06; GHS08; GHS09
• NFPA704:
  

  1

  2

  1

  OX
• GHS危险声明: 272, 301, 312, 314, 317, 330, 334, 340, 350, 360, 372, 410; H200-H272-H300-H311-H330-H317-H334-H340-H350-H360-H372-H314-H318-H400-H410
• GHS警示性声明: 201, 220, 260, 273, 280, 284; P221-P301+P310-P303+P361+P353-P304+P340-P305+P351+P338-P320-P330-P361-P373-P401A-P405-P501A

产品相关信息

• 纯度: 99.5% min; 99.999% (metals basis)