pentafluoropyridine

• ChemBase编号: 9712
• 分子式: C5F5N
• 平均质量: 169.052216
• 单一同位素质量: 168.99509011
• SMILES: c1(c(nc(c(c1F)F)F)F)F
• Canonical SMILES: Fc1nc(F)c(c(c1F)F)F
• InChI: InChI=1S/C5F5N/c6-1-2(7)4(9)11-5(10)3(1)8
• InChIKey: XTGOWLIKIQLYRG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: pentafluoropyridine
• IUPAC传统名: pentafluoropyridine
• 别名: 五氟吡啶; Pentafluoropyridine; Pentafluoropyridine; 2,3,4,5,6-pentafluoropyridine; Pentafluoropyridine 99%; Perfluoropyridine

登记号

• CAS号: 700-16-3
• EC号: 211-839-9
• MDL号: MFCD00006225
• Beilstein号: 1427064
• PubChem SID: 24849774; 24887051; 160973019
• PubChem CID: 69690

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 2.2569444
• LogD (pH = 7.4): 2.2569444
• Log P: 2.2569444
• 摩尔折射率: 27.0125 cm^3
• 极化性: 8.934593 Å^3
• 极化表面积: 12.89 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: -42°C
• 沸点: 83-85 °C; 83-85°C; 83-85°C
• 闪点: 23°C; 23°C(73°F); 25 °C; 77 °F
• 密度: 1.54; 1.54 g/mL at 25 °C(lit.); 1.540; 1.618
• 折射率: 1.3860; 1.387; 1.3870; n20/D 1.386(lit.); n20/D 1.387
• 疏水性(logP): 1.279

安全信息

• 保存注意事项: Flammable/Irritant; IRRITANT, FLAMMABLE
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); X; 有害性(Harmful) (Xn)
• 联合国危险货物编号: 1993; UN2924
• 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: 10-20/21/22; 10-20/21/22-34
• 安全公开号: 26-28; 9-26-36/37/39-45-60
• TSCA收录: false; 否
• GHS危险品标识: GHS02; GHS05; GHS06; GHS07
• GHS警示词: Warning
• GHS危险声明: H226-H302-H312-H332; H301-H311-H332-H314-H318-H226
• GHS警示性声明: P210-P301+P310-P303+P361+P353-P305+P351+P338-P361-P405-P501A; P280
• 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

产品相关信息

• 纯度: ≥98.0% (GC); ≥99%; 95%; 95+%; 99%
• 级别: purum
• Empirical Formula (Hill Notation): C5F5N

详细说明

Apollo Scientific Ltd - PC5800

J. Chem. Soc.,Chem. Commun., 125 (1984):protection of alcohols under phase-transferconditions.

Sigma Aldrich - 158798

包装
25 g in ampule

参考文献

• Protection of alcohols has been effected under phase-transfer conditions to give preferentially the 4-alkoxy-derivatives which can be cleaved with sodium methoxide in DMF: J. Chem. Soc., Chem. Commun., 125 (1984).