1,1,1,5,5,6,6,7,7,7-decafluoroheptane-2,4-dione

• ChemBase编号: 6585
• 分子式: C7H2F10O2
• 平均质量: 308.073612
• 单一同位素质量: 307.9895115
• SMILES: C(F)(F)(F)C(=O)CC(=O)C(F)(F)C(C(F)(F)F)(F)F
• Canonical SMILES: O=C(C(F)(F)F)CC(=O)C(C(C(F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C7H2F10O2/c8-4(9,6(13,14)7(15,16)17)2(18)1-3(19)5(10,11)12/h1H2
• InChIKey: SUORUQZBFOQDGX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,1,5,5,6,6,7,7,7-decafluoroheptane-2,4-dione
• IUPAC传统名: 1,1,1,5,5,6,6,7,7,7-decafluoroheptane-2,4-dione
• 别名: 1,1,1,5,5,6,6,7,7,7-十氟代-2,4-庚二酮; 3H,3H-Perfluoro-2,4-heptanedione; 1,1,1,5,5,6,6,7,7,7-Decafluoroheptane-2,4-dione 97%; 1,1,1,5,5,6,6,7,7,7-Decafluoro-2,4-heptanedione; 1,1,1,5,5,6,6,7,7,7-Decafluoro-2,4-heptanedione

登记号

• CAS号: 20583-66-8
• MDL号: MFCD00040961
• Beilstein号: 1889488
• PubChem SID: 160969892
• PubChem CID: 425461

理论计算性质

• Acid pKa: 6.4115705
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.943893
• LogD (pH = 7.4): 2.9659486
• Log P: 3.9940765
• 摩尔折射率: 37.4464 cm^3
• 极化性: 13.969597 Å^3
• 极化表面积: 34.14 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 98-100°C; 98-100°C
• 闪点: None

安全信息

• 保存注意事项: Corrosive; IRRITANT
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: UN3265
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): III
• 危险公开号: 34
• 安全公开号: 23-26-36/37/39-45
• TSCA收录: false; 否
• GHS危险品标识: GHS05
• GHS危险声明: H314-H318
• GHS警示性声明: P280-P305+P351+P338-P309-P310

产品相关信息

• 纯度: 97%