tetrafluorooxolane-2,5-dione

• ChemBase编号: 9715
• 分子式: C4F4O3
• 平均质量: 172.0346128
• 单一同位素质量: 171.97835674
• SMILES: C1(C(C(=O)OC1=O)(F)F)(F)F
• Canonical SMILES: O=C1OC(=O)C(C1(F)F)(F)F
• InChI: InChI=1S/C4F4O3/c5-3(6)1(9)11-2(10)4(3,7)8
• InChIKey: ZLVLNNCBGQYRAB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tetrafluorooxolane-2,5-dione
• IUPAC传统名: tetrafluorooxolane-2,5-dione
• 别名: 四氟丁二酸酐; 四氟琥珀酸酐; Tetrafluorosuccinic anhydride; Tetrafluorosuccinic anhydride 97%; Tetrafluorosuccinic anhydride; PERFLUOROSUCCINIC ANHYDRIDE; Perfluorosuccinic anhydride; Tetrafluorosuccinic anhydride

登记号

• CAS号: 699-30-9
• EC号: 211-832-0
• MDL号: MFCD00037917
• Beilstein号: 156388
• PubChem SID: 160973022; 24888866
• PubChem CID: 69686

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.2717059
• LogD (pH = 7.4): 1.2717059
• Log P: 1.2717059
• 摩尔折射率: 20.5692 cm^3
• 极化性: 8.504695 Å^3
• 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

分子性质

理化性质

• 沸点: 54-55°C; 54-56 °C(lit.)
• 密度: 1.609 g/mL at 20 °C(lit.); 1.6209; 1.621
• 折射率: 1.324; 1.3240; n20/D 1.327

安全信息

• 保存注意事项: Highly Toxic; IRRITANT, MOISTURE SENSITIVE, TOXIC BY INHALATION, CORROSIVE
• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 联合国危险货物编号: 2810
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 2
• 危险公开号: 23-36/37/38
• 安全公开号: 26-36/37/39-45
• TSCA收录: true
• GHS危险品标识: GHS06
• GHS警示词: Danger
• GHS危险声明: H315-H319-H331-H335
• GHS警示性声明: P261-P305 + P351 + P338-P311
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 2810 6.1/PG 2

产品相关信息

• 纯度: ≥98.0% (T); 97%
• Empirical Formula (Hill Notation): C4F4O3

详细说明

MP Biomedicals - 05221319

MP Biomedicals Rare Chemical collection

Apollo Scientific Ltd - PC6890

Inhalation hazard!! Avoid breathing vapours. Inhalation hazard!! Avoid breathing vapours, Supplied in a Cylinder

Sigma Aldrich - 87265

包装
500 mg in glass bottle