N-{[2-(diphenylphosphanyl)phenyl]methylidene}hydroxylamine

• ChemBase编号: 143212
• 分子式: C19H16NOP
• 平均质量: 305.310201
• 单一同位素质量: 305.09695077
• SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1/C=N/O
• Canonical SMILES: O/N=C/c1ccccc1P(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C19H16NOP/c21-20-15-16-9-7-8-14-19(16)22(17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-15,21H
• InChIKey: XHIVESUSSLEMGJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-{[2-(diphenylphosphanyl)phenyl]methylidene}hydroxylamine; (E)-N-{[2-(diphenylphosphanyl)phenyl]methylidene}hydroxylamine
• IUPAC传统名: N-{[2-(diphenylphosphanyl)phenyl]methylidene}hydroxylamine; (E)-N-{[2-(diphenylphosphanyl)phenyl]methylidene}hydroxylamine
• 别名: 2-(二苯基膦基)苯甲醛肟; 2-(二苯基膦)苯甲醛肟; 2-(Diphenylphosphanyl)benzaldoxime; 2-(Diphenylphosphino)benzaldehyde oxime

登记号

• CAS号: 153358-05-5
• MDL号: MFCD16251585
• PubChem SID: 162237433
• PubChem CID: 15655459

理论计算性质

• Acid pKa: 8.697674
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 4.741596
• LogD (pH = 7.4): 4.722151
• Log P: 4.7434
• 摩尔折射率: 92.0286 cm^3
• 极化性: 35.516056 Å^3
• 极化表面积: 32.59 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 173-178 °C

安全信息

• 欧盟危险性物质标志: 刺激性(Irritant) (Xi); 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22; 36/37/38
• 安全公开号: 26-37
• TSCA收录: 否
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302; H315-H319-H335
• GHS警示性声明: P280G-P305+P351+P338

产品相关信息

• 纯度: 95%; 97%
• Empirical Formula (Hill Notation): C19H16NOP

详细说明

Sigma Aldrich - 720046

包装
500 mg in glass bottle