1-ethenyl-2,3,4,5,6-pentafluorobenzene

• ChemBase编号: 6766
• 分子式: C8H3F5
• 平均质量: 194.101436
• 单一同位素质量: 194.0154912
• SMILES: c1(c(c(c(c(c1F)F)F)F)F)C=C
• Canonical SMILES: C=Cc1c(F)c(F)c(c(c1F)F)F
• InChI: InChI=1S/C8H3F5/c1-2-3-4(9)6(11)8(13)7(12)5(3)10/h2H,1H2
• InChIKey: LVJZCPNIJXVIAT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-ethenyl-2,3,4,5,6-pentafluorobenzene
• IUPAC传统名: 1-ethenyl-2,3,4,5,6-pentafluorobenzene
• 别名: 2,3,4,5,6-五氟苯乙烯; 2,3,4,5,6-Pentafluorostyrene; 2,3,4,5,6-Pentafluorostyrene; 1-Ethenyl-2,3,4,5,6-pentafluorobenzene; 1,2,3,4,5-Pentafluoro-6-vinylbenzene; 2,3,4,5,6-Pentafluorostyrene 99%

登记号

• CAS号: 653-34-9
• EC号: 211-500-5
• MDL号: MFCD00000300
• Beilstein号: 1874390
• PubChem SID: 160970073; 24887054; 24851808
• PubChem CID: 69556

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.4234576
• LogD (pH = 7.4): 3.4234576
• Log P: 3.4234576
• 摩尔折射率: 36.8263 cm^3
• 极化性: 12.838059 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 139-140°C; 139-140°C; 62-63 °C/50 mmHg(lit.)
• 闪点: 34 °C; 34°C; 34°C(93°F); 93.2 °F
• 密度: 1.406; 1.406 g/mL at 25 °C(lit.); 1.432
• 折射率: 1.446; 1.4460; 1.455; n20/D 1.446; n20/D 1.446(lit.)

安全信息

• 保存注意事项: Flammable/Light Sensitive/Store under Argon/Store at -20°C; KEEP COLD, FLAMMABLE
• 联合国危险货物编号: 1993; UN1993
• 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): 3; III
• 危险公开号: 10
• TSCA收录: false; 否
• GHS危险品标识: GHS02
• GHS警示词: Warning
• GHS危险声明: H226
• 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 3
• 保存温度: -20°C

产品相关信息

• 纯度: ≥98.0% (GC); 98%, stab. with 250ppm 4-tert-butylcatechol; 99%
• 级别: purum
• 杂质: ≤0.1% water
• 其他组分: 0.1% p-tert-butylcatechol as inhibitor
• 运输包装: wet ice
• 线性分子式: C6F5CH=CH2

详细说明

Sigma Aldrich - 196916

包装
25 g in glass bottle