3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene

• ChemBase编号: 7719
• 分子式: C8H3F13
• 平均质量: 346.0886616
• 单一同位素质量: 346.00271696
• SMILES: C(C(C(C(C(C(C=C)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)F
• Canonical SMILES: C=CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C8H3F13/c1-2-3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h2H,1H2
• InChIKey: FYQFWFHDPNXORA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene
• IUPAC传统名: 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene
• 别名: 1H,1H,2H-全氟-1-辛烯; 3,3,4,4,5,5,6,6,7,7,8,8,8-十三氟-1-辛烯; 1H,1H,2H-全氟-1-辛烯; (Perfluorohexyl)ethylene; 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooct-1-ene; 1H,1H,2H-Perfluorooct-1-ene 99%; 1H,1H,2H-Perfluoro-1-octene; 1H,1H,2H-Perfluoro-1-octene; 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octene; 1H,1H,2H-Perfluoro-1-octene

登记号

• CAS号: 25291-17-2
• EC号: 246-791-8
• MDL号: MFCD00039249
• Beilstein号: 2060994
• PubChem SID: 24863075; 160971026
• PubChem CID: 91384

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.3610845
• LogD (pH = 7.4): 5.3610845
• Log P: 5.3610845
• 摩尔折射率: 39.9218 cm^3
• 极化性: 15.12812 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 102°C; 102-104 °C(lit.); 106-107°C; 106-107°C
• 闪点: 20 °C; 20°C; 20°C(202°F); 68 °F
• 密度: 1.52 g/mL at 25 °C(lit.); 1.520; 1.580
• 折射率: 1.2950; 1.2960; n20/D 1.295(lit.)

安全信息

• 保存注意事项: Highly Flammable/Irritant/Keep Cold; IRRITANT, FLAMMABLE
• 欧盟危险性物质标志: 易燃性(Flammable) (F); 刺激性(Irritant) (Xi)
• 联合国危险货物编号: 1993
• 德国WGK号: 3
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 2
• 危险公开号: 11-36/37/38
• 安全公开号: 16-26-36/37/39
• TSCA收录: true; 是
• GHS危险品标识: GHS02; GHS07
• GHS警示词: Danger
• GHS危险声明: H225-H315-H319-H335
• GHS警示性声明: P210-P261-P305 + P351 + P338
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 2

产品相关信息

• 纯度: 98%; 99%
• 线性分子式: CF3(CF2)5CH=CH2

详细说明

MP Biomedicals - 05204944

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 370568

包装
5, 25 g in glass bottle