3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl prop-2-enoate

• ChemBase编号: 98686
• 分子式: C15H7F21O2
• 平均质量: 618.1813472
• 单一同位素质量: 618.01107208
• SMILES: O(C(=O)C=C)CCC(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
• Canonical SMILES: C=CC(=O)OCCC(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
• InChI: InChI=1S/C15H7F21O2/c1-2-5(37)38-4-3-6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)12(28,29)13(30,31)14(32,33)15(34,35)36/h2H,1,3-4H2
• InChIKey: FIAHOPQKBBASOY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl prop-2-enoate
• IUPAC传统名: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl prop-2-enoate
• 别名: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-二十一氟十二烷醇丙烯酸酯; 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Heneicosafluorododecyl acrylate; 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Henicosafluorododecyl prop-2-enoate; 1H,1H,2H,2H-Perfluorododecyl acrylate

登记号

• CAS号: 17741-60-5
• EC号: 241-732-2
• MDL号: MFCD00236108
• PubChem SID: 162085071; 24870993
• PubChem CID: 87274

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 8.443358
• LogD (pH = 7.4): 8.443358
• Log P: 8.443358
• 摩尔折射率: 73.9744 cm^3
• 极化性: 28.705973 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 14
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 48-53 °C(lit.); 48-53°C
• 沸点: 122 °C/4 mmHg(lit.); 122°C/4mm
• 闪点: 113 °C; 113°C; 235.4 °F
• 密度: 1.32; 1.32 g/mL at 25 °C(lit.)

安全信息

• 保存注意事项: Irritant/Keep Cold
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 联合国危险货物编号: 3077
• 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
• 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: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3077 9/PG 3
• 保存温度: 2-8°C

产品相关信息

• 纯度: 96%
• 其他组分: 100 ppm 4-tert-butylcatechol as inhibitor
• 线性分子式: H2C=CHCO2CH2CH2(CF2)9CF3

详细说明

Sigma Aldrich - 474355

包装
5 g in glass bottle