O-[(pentafluorophenyl)methyl]hydroxylamine hydrochloride

• ChemBase编号: 7548
• 分子式: C7H5ClF5NO
• 平均质量: 249.565716
• 单一同位素质量: 248.99798257
• SMILES: c1(c(c(c(c(c1F)CON)F)F)F)F.Cl
• Canonical SMILES: NOCc1c(F)c(F)c(c(c1F)F)F.Cl
• InChI: InChI=1S/C7H4F5NO.ClH/c8-3-2(1-14-13)4(9)6(11)7(12)5(3)10;/h1,13H2;1H
• InChIKey: HVMVKNXIMUCYJA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: O-[(pentafluorophenyl)methyl]hydroxylamine hydrochloride
• IUPAC传统名: O-[(pentafluorophenyl)methyl]hydroxylamine hydrochloride
• 别名: O-(2,3,4,5,6-五氟苄基)羟胺 盐酸盐; O-(2,3,4,5,6-五氟苄基)羟胺盐酸盐; PFBHA·HCl; O-(2,3,4,5,6-Pentafluorobenzyl)hydroxylamine hydrochloride; 1-[(Aminooxy)methyl]-2,3,4,5,6-pentafluorobenzene hydrochloride; O-(Pentafluorobenzyl)hydroxylamine hydrochloride 97%; O-(2,3,4,5,6-Pentafluorobenzyl)hydroxylamine hydrochloride; O-(2,3,4,5,6-PENTAFLUORO-BENZYL)HYDROXYLAMINE HYDROCHLORIDE

登记号

• CAS号: 57981-02-9
• EC号: 261-057-7
• MDL号: MFCD00012953
• Beilstein号: 4031190
• PubChem SID: 160970855; 24851655; 24887043
• PubChem CID: 122307

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 2.0678637
• LogD (pH = 7.4): 2.0753508
• Log P: 2.075447
• 摩尔折射率: 38.0256 cm^3
• 极化性: 13.599472 Å^3
• 极化表面积: 35.25 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

• 溶解度: H2O: soluble5%, clear
• 熔点: 212-218 °C; 220-223°C (sublimes); 227 °C (subl.)(lit.); 227°C; ca 215°C subl.

安全信息

• 保存条件: Room Temperature (15-30°C)
• 保存注意事项: IRRITANT; Irritant
• 德国WGK号: 3
• TSCA收录: false; 否
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: ≥98%; ≥99.0% (AT); 97%; 99+%
• 级别: for GC derivatization
• 线性分子式: C6F5CH2ONH2·HCl

详细说明

MP Biomedicals - 02156092

Hydrochloride
Crystalline

Apollo Scientific Ltd - PC0810

J. Chromatogr. Sci., 1975,114,81: Derivatisingagent for Electron-Capture detection of steriods.

Sigma Aldrich - 194484

Application
挥发性醛的衍生化试剂，衍生化通过它们的 PFP-羟胺进行，以用于 GC-ECD 分析和 MS 检测。1
用于含羰基化合物 GC、GC-MS 及其他方法检测的有效试剂。
包装
1 g in glass bottle
250 mg in glass bottle

Sigma Aldrich - 76735

Other Notes
GC-ECD 分析羰基化合物（酮类固醇和碳水化合物）的灵敏的衍生化试剂1

参考文献

• Very sensitive reagent for derivatization of steroids for GC: J. Chromat. Sci., 13, 97 (1975); J. Chromat., 114, 81 (1975).