2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononan-1-amine

• ChemBase编号: 93062
• 分子式: C9H4F17N
• 平均质量: 449.1076144
• 单一同位素质量: 449.00722887
• SMILES: FC(C(C(C(C(C(C(C(CN)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: NCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C9H4F17N/c10-2(11,1-27)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)26/h1,27H2
• InChIKey: IHVFAVFXCUPMEN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononan-1-amine
• IUPAC传统名: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononan-1-amine
• 别名: 1H,1H-全氟壬胺; 1H,1H-十七氟壬胺; 1H,1H-Perfluorononylamine; 1H,1H-Perfluorononylamine; 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluorononylamine

登记号

• CAS号: 355-47-5
• MDL号: MFCD01319146
• PubChem SID: 24884863; 162079760
• PubChem CID: 2776259

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 3.374564
• LogD (pH = 7.4): 4.9415793
• Log P: 5.2341366
• 摩尔折射率: 48.0449 cm^3
• 极化性: 18.999075 Å^3
• 极化表面积: 26.02 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 165°C/740mm

安全信息

• 保存注意事项: Irritant
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: 3259
• 德国WGK号: 3
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 2
• 危险公开号: 22-34
• 安全公开号: 26-36/37/39-45
• GHS危险品标识: GHS05; GHS07
• GHS警示词: Danger
• GHS危险声明: H302-H314
• GHS警示性声明: P280-P305 + P351 + P338-P310
• 个人保护装置: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3259 8/PG 2

产品相关信息

• 纯度: ≥90% (T)
• 级别: technical
• Empirical Formula (Hill Notation): C9H4F17N

详细说明

Sigma Aldrich - 67887

包装
1, 5 g in glass bottle