1,1,1,2,3,3,3-heptafluoro-2-iodopropane

• ChemBase编号: 9769
• 分子式: C3F7I
• 平均质量: 295.9253924
• 单一同位素质量: 295.89329554
• SMILES: C(C(C(F)(F)F)(I)F)(F)(F)F
• Canonical SMILES: FC(C(F)(F)F)(C(F)(F)F)I
• InChI: InChI=1S/C3F7I/c4-1(11,2(5,6)7)3(8,9)10
• InChIKey: BBZVTTKMXRPMHZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,1,2,3,3,3-heptafluoro-2-iodopropane
• IUPAC传统名: 1,1,1,2,3,3,3-heptafluoro-2-iodopropane
• 别名: 2-碘七氟丙烷; 七氟异丙基碘; 全氟异丙基碘; 七氟-2-碘代丙烷; 七氟-2-碘丙烷; 2-Iodoheptafluoropropane; 2-Iodoperfluoropropane; Heptafluoro-2-iodopropane; Heptafluoroisopropyl iodide; 2-Iodoheptafluoropropane; Perfluoroisopropyl iodide; 2-Iodoperfluoropropane 98%

登记号

• CAS号: 677-69-0
• EC号: 211-643-3
• MDL号: MFCD00042089
• Beilstein号: 1841228
• PubChem SID: 24887166; 24861021; 160973076
• PubChem CID: 33978

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.915599
• LogD (pH = 7.4): 3.915599
• Log P: 3.915599
• 摩尔折射率: 29.9885 cm^3
• 极化性: 12.041761 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: -56°C; -56°C
• 沸点: 38°C; 38°C; 40 °C(lit.)
• 闪点: none°C
• 密度: 2.08 g/mL at 25 °C(lit.); 2.10; 2.100
• 折射率: 1.3298; 1.33; 1.3300; n20/D 1.329; n20/D 1.329(lit.)
• 蒸汽压: 7.12 psi ( 20 °C)

安全信息

• 保存注意事项: Harmful/Irritant/Light Sensitive/Keep Cold; Light Sensitive; LIGHT SENSITIVE, KEEP COLD, TOXIC
• RTECS编号: TZ3925000
• 欧盟危险性物质标志: X; 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 20-36/37/38
• 安全公开号: 26-36; 26-36/37
• TSCA收录: true; 是
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H332-H335; H332-H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98.0% (GC); 97%, stab. with copper powder; 97+%; 98%
• 级别: purum
• 线性分子式: (CF3)2CFI

详细说明

MP Biomedicals - 05225009

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 342017

包装
5, 25 g in ampule