(E)-N-{[4-(trifluoromethoxy)phenyl]methylidene}hydroxylamine

• ChemBase编号: 9160
• 分子式: C8H6F3NO2
• 平均质量: 205.1339496
• 单一同位素质量: 205.0350631
• SMILES: O(C(F)(F)F)c1ccc(cc1)/C=N/O
• Canonical SMILES: O/N=C/c1ccc(cc1)OC(F)(F)F
• InChI: InChI=1S/C8H6F3NO2/c9-8(10,11)14-7-3-1-6(2-4-7)5-12-13/h1-5,13H/b12-5+
• InChIKey: SFLMISFBFTUVTD-LFYBBSHMSA-N

名称和登记号

名称

• IUPAC标准名: (E)-N-{[4-(trifluoromethoxy)phenyl]methylidene}hydroxylamine; N-{[4-(trifluoromethoxy)phenyl]methylidene}hydroxylamine
• IUPAC传统名: (E)-N-{[4-(trifluoromethoxy)phenyl]methylidene}hydroxylamine; N-{[4-(trifluoromethoxy)phenyl]methylidene}hydroxylamine
• 别名: 4-(Trifluoromethoxy)benzaldoxime; 4-(Trifluoromethoxy)benzaldoxime 97%; 4-(trifluoromethoxy)benzaldehyde oxime

登记号

• CAS号: 150162-39-3
• MDL号: MFCD00210176
• PubChem SID: 160972467
• PubChem CID: 9582153

理论计算性质

• Acid pKa: 7.2950597
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 3.1194205
• LogD (pH = 7.4): 2.7719698
• Log P: 3.1263394
• 摩尔折射率: 39.534 cm^3
• 极化性: 15.61782 Å^3
• 极化表面积: 41.82 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 41°C

安全信息

• 保存注意事项: IRRITANT; Irritant
• TSCA收录: false

产品相关信息

• 纯度: 97%