O-benzylhydroxylamine hydrochloride

• ChemBase编号: 70234
• 分子式: C7H10ClNO
• 平均质量: 159.6134
• 单一同位素质量: 159.04509163
• SMILES: NOCc1ccccc1.Cl
• Canonical SMILES: NOCc1ccccc1.Cl
• InChI: InChI=1S/C7H9NO.ClH/c8-9-6-7-4-2-1-3-5-7;/h1-5H,6,8H2;1H
• InChIKey: HYDZPXNVHXJHBG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: O-benzylhydroxylamine hydrochloride
• IUPAC传统名: O-benzylhydroxylamine hydrochloride
• 别名: O-苄基羟胺盐酸盐; 邻苄基羟胺 盐酸盐; O-苄基羟胺 盐酸盐; [(Aminooxy)methyl]benzene hydrochloride; O-(Phenylmethyl)hydroxylamine Hydrochloride; Benzyloxyammonium Chloride; Phenylmethoxyamine Hydrochloride; O-Benzylhydroxylamine hydrochloride; Benzyloxyamine hydrochloride; O-Benzylhydroxylamine hydrochloride

登记号

• CAS号: 2687-43-6
• EC号: 220-249-0
• MDL号: MFCD00012952
• Beilstein号: 3687991; 3595440
• PubChem SID: 24848165; 162035957; 24891644
• PubChem CID: 102312

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 1.3476743
• LogD (pH = 7.4): 1.3617549
• Log P: 1.3619374
• 摩尔折射率: 36.9436 cm^3
• 极化性: 14.390438 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: DMSO; Methanol
• 外观: Off-White to Pale Grey Solid
• 熔点: >210°C (sublimation); 237 - 239°C; 238 °C (subl.)(lit.); ca 238°C subl.
• 疏水性(logP): 0.715

安全信息

• 保存条件: Refrigerator
• 保存注意事项: Hygroscopic; IRRITANT; Irritant/Hygroscopic/Air Sensitive/Moisture Sensitive/Store under Argon
• RTECS编号: NC3040000
• 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: ≥98.0% (AT); 95%; 95+%; 98%; 99%
• 级别: purum
• 成盐信息: HCl
• 杂质: ≤2% water
• 线性分子式: C6H5CH2ONH2 · HCl

详细说明

Sigma Aldrich - B22984

包装
25, 100 g in poly bottle
5 g in glass bottle
Application
用于通过 α-羟酮制备 α-羟基苄胺的有效试剂。1

Sigma Aldrich - 13455

Other Notes
用于合成羟胺和氧肟酸酯的试剂1,2,3；用于色谱法中酮的衍生化4

Toronto Research Chemicals - B279080

A reagent used for the synthesis of hydroxylamines and hydroxyamates.

参考文献

• Magin, D.F., et al.: J. Chromatogr., 178, 219 (1979)
• Safavy, A., et al.: Bioconjug. Chem., 13, 327 (1979)
• In the peptide field, Palladium, 11722 is a useful selective catalyst for deprotection of the benzyl hydroxamates: Tetrahedron Lett., 36, 197 (1995).
• For use in the formation of nitrones from carbonyl compounds and their use in cycloaddition reactions, see: J. Org. Chem., 47, 2328 (1982); 52, 2179 (1987).