3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecane-1-thiol

• ChemBase编号: 100204
• 分子式: C10H5F17S
• 平均质量: 480.1845544
• 单一同位素质量: 479.9840509
• SMILES: SCCC(C(F)(C(F)(F)C(F)(C(C(C(F)(C(F)(F)F)F)(F)F)(F)F)F)F)(F)F
• Canonical SMILES: SCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C10H5F17S/c11-3(12,1-2-28)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h28H,1-2H2
• InChIKey: URJIJZCEKHSLHA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecane-1-thiol
• IUPAC传统名: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecane-1-thiol
• 别名: 1H,1H,2H,2H-全氟-1-癸硫醇; 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-十七氟-1-癸硫醇; 1H,1H,2H,2H-全氟癸硫醇; 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-十七氟-1-癸硫醇; 2-(Perfluorooct-1-yl)ethane-1-thiol; 1H,1H,2H,2H-Perfluorodecane-1-thiol 99%; 1H,1H,2H,2H-Perfluoro-1-decanethiol; 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluoro-1-decanethiol; 1H,1H,2H,2H-Perfluorodecanethiol; 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluoro-1-decanethiol

登记号

• CAS号: 34143-74-3
• MDL号: MFCD00792429
• PubChem SID: 162086273; 24846214; 24884478
• PubChem CID: 542755

理论计算性质

• Acid pKa: 10.145332
• 质子受体: 0
• 质子供体: 1
• LogD (pH = 5.5): 6.8626814
• LogD (pH = 7.4): 6.861967
• Log P: 6.8626904
• 摩尔折射率: 56.8678 cm^3
• 极化性: 21.970049 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 15 °C; 15°C
• 沸点: 82 °C/12 mmHg; 82°C/12mm
• 闪点: >110 °C; >230 °F; 110°C
• 密度: 1.64; 1.678 g/mL at 25 °C
• 折射率: 1.333; n20/D 1.333

安全信息

• 保存注意事项: Irritant/Store under Argon
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-36
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

产品相关信息

• 纯度: ≥96.0%; 97%
• 线性分子式: CF3(CF2)7CH2CH2SH

详细说明

Sigma Aldrich - 660493

包装
5, 25 g in glass bottle

Sigma Aldrich - 08686

Legal Information
Fluorous Technologies, Inc. 的产品。该化合物的使用受美国专利 6,156,896、5,859,247、5,777,121 和 6,673,539 的保护。