tricosafluorododecanoic acid

• ChemBase编号: 7883
• 分子式: C12HF23O2
• 平均质量: 614.0984136
• 单一同位素质量: 613.96092833
• SMILES: C(C(C(C(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F
• Canonical SMILES: OC(=O)C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C12HF23O2/c13-2(14,1(36)37)3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)35/h(H,36,37)
• InChIKey: CXGONMQFMIYUJR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tricosafluorododecanoic acid
• IUPAC传统名: perfluorododecanoic acid
• 别名: 全氟十二酸; 全氟十二酸; 全氟十二烷酸; Tricosafluorododecanoic acid; Perfluorododecanoic acid; Perfluorododecanoic acid; Perfluorododecanoic acid; Perfluorolauric acid; Tricosafluorododecanoic acid; Perfluorododecanoic acid 96%

登记号

• CAS号: 307-55-1
• EC号: 206-203-2
• MDL号: MFCD00198081
• Beilstein号: 1811257
• PubChem SID: 160971190; 24865376
• PubChem CID: 67545

理论计算性质

• Acid pKa: -5.1978645
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 4.3859425
• LogD (pH = 7.4): 4.3859425
• Log P: 7.91541
• 摩尔折射率: 60.3339 cm^3
• 极化性: 24.385939 Å^3
• 极化表面积: 37.3 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 105-108 °C(lit.); 107-109°C; 108-112°C
• 沸点: 245 °C/740 mmHg(lit.); 245°C/740mm; 245°C
• 闪点: None; none°C

安全信息

• 保存注意事项: Corrosive; IRRITANT, CORROSIVE
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 刺激性(Irritant) (Xi)
• 联合国危险货物编号: UN3261
• 德国WGK号: 3
• 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; 36/37/38
• 安全公开号: 26-36; 26-36/37/39-45
• TSCA收录: true; 是
• GHS危险品标识: GHS05; GHS07
• GHS警示词: Warning
• GHS危险声明: H314-H318; H315-H319-H335
• GHS警示性声明: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: 95%; 96%
• 线性分子式: CF3(CF2)10CO2H

详细说明

Sigma Aldrich - 406449

包装
1, 10 g in glass bottle