tetrachloro-1,3-dihydro-2-benzofuran-1,3-dione

• ChemBase编号: 151250
• 分子式: C8Cl4O3
• 平均质量: 285.8958
• 单一同位素质量: 283.86015458
• SMILES: c12c(c(c(c(c1Cl)Cl)Cl)Cl)C(=O)OC2=O
• Canonical SMILES: O=C1OC(=O)c2c1c(Cl)c(c(c2Cl)Cl)Cl
• InChI: InChI=1S/C8Cl4O3/c9-3-1-2(8(14)15-7(1)13)4(10)6(12)5(3)11
• InChIKey: AUHHYELHRWCWEZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tetrachloro-1,3-dihydro-2-benzofuran-1,3-dione
• IUPAC传统名: tetrachlorophthalic anhydride
• 别名: 四氯苯酐; 四氯邻苯二甲酸酐; Tetrachlorophthalic anhydride

登记号

• CAS号: 117-08-8
• EC号: 204-171-4
• MDL号: MFCD00005920
• Beilstein号: 211560
• PubChem SID: 24848039; 162245406
• PubChem CID: 8326

理论计算性质

• 极化表面积: 43.37 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.8387623
• LogD (pH = 7.4): 3.8387623
• Log P: 3.8387623
• 摩尔折射率: 56.5842 cm^3
• 极化性: 22.133963 Å^3

分子性质

理化性质

• 熔点: 253-257 °C(lit.); 254-258°C
• 沸点: 349-354°C; 371 °C(lit.)
• 闪点: 362°C(683°F)
• 蒸汽压: 0.16 mmHg ( 145 °C)

安全信息

• 保存注意事项: Moisture Sensitive
• RTECS编号: TI3450000
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 有毒(Toxic) (T); X
• 联合国危险货物编号: 3077; UN3077
• 德国WGK号: 3
• 联合国危险货物等级: 9
• 联合国危险货物包装类别(PG): 3; III
• 危险公开号: 41-42/43-50/53; 45-41-42/43-48/22-50/53
• 安全公开号: 22-24-26-37/39-60-61; 53-22-26-36/37/39-45-61
• TSCA收录: 是
• GHS危险品标识: GHS05; GHS08; GHS09
• GHS警示词: Danger
• GHS危险声明: H317-H318-H334-H350-H373-H410; H334-H317-H318-H400-H410
• GHS警示性声明: P201-P261-P273-P280-P305 + P351 + P338-P308 + P313; P285-P261-P305+P351+P338-P302+P352-P321-P501A
• RID/ADR: UN 3077 9/PG 3

产品相关信息

• 纯度: 96%; 98%
• Empirical Formula (Hill Notation): C8Cl4O3

详细说明

Sigma Aldrich - 131865

包装
100, 500 g in glass bottle

参考文献

• Protection of amines as their tetrachlorophthalimide derivatives, by reaction with the anhydride in the presence of triethylamine, has been found to be useful in oligosaccharide chemistry. The group is stable to a wide range of reagents but can be selectively cleaved with ethylenediamine at lower temperatures than for the parent phthalimide derivatives; in particular, carboxylic esters are not cleaved under these conditions: J. Am. Chem. Soc., 117, 3302 (1995); J. Org. Chem., 61, 432 (1996).