1-phenyl-2,5-dihydro-1H-pyrrole-2,5-dione

• ChemBase编号: 87031
• 分子式: C10H7NO2
• 平均质量: 173.16808
• 单一同位素质量: 173.04767847
• SMILES: N1(c2ccccc2)C(=O)C=CC1=O
• Canonical SMILES: O=C1C=CC(=O)N1c1ccccc1
• InChI: InChI=1S/C10H7NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h1-7H
• InChIKey: HIDBROSJWZYGSZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-phenyl-2,5-dihydro-1H-pyrrole-2,5-dione
• IUPAC传统名: 1-phenylpyrrole-2,5-dione
• 别名: N-苯基马来酰亚胺; 1-Phenyl-1H-pyrrole-2,5-dione; N-Phenylmaleimide; N-Phenylmaleimide; 1-phenyl-2,5-dihydro-1H-pyrrole-2,5-dione

登记号

• CAS号: 941-69-5
• EC号: 213-382-0
• MDL号: MFCD00005502
• Beilstein号: 125098
• 默克索引号: 147299
• PubChem SID: 162074147; 24898352; 24887368
• PubChem CID: 13662

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.2457308
• LogD (pH = 7.4): 1.2457316
• Log P: 1.2457316
• 摩尔折射率: 48.0257 cm^3
• 极化性: 17.989609 Å^3
• 极化表面积: 37.38 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 85-87 °C(lit.); 85-87°C; 87-91°C; 88-90°C; 89-90 °C
• 沸点: 162-163 °C/12 mmHg(lit.); 162-163°C @ 12 mm; 162-163°C/12mm; 162-163°C/12mm
• 闪点: 152 °C; 305.6 °F

安全信息

• 保存条件: Room Temperature (15-30°C)
• 保存注意事项: Toxic/Moisture Sensitive/Store under Argon
• RTECS编号: ON5950000
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 有毒(Toxic) (T)
• 联合国危险货物编号: 2811; UN2811
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 3; III
• 澳大利亚Hazchem: 2X
• 危险公开号: 25-36; 25-38-41-43-50; R:25
• 安全公开号: 26-36/37-39-45-61; 26-36-45; S:28-29-36/37/39-45
• 欧盟危险货物分类: T2
• 欧盟危险识别号(EUHIN): 6.1B
• 美国ERG指导号: 154
• TSCA收录: 是
• GHS危险品标识: GHS05; GHS06; GHS09
• GHS警示词: Danger
• GHS危险声明: H301-H315-H317-H318-H400; H301-H319
• GHS警示性声明: P273-P280-P301 + P310-P305 + P351 + P338; P280-P301+P310-P305+P351+P338-P321-P405-P501A
• 个人保护装置: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3

产品相关信息

• 纯度: ≥98.0% (HPLC); 97%; 97-98%; 98%; 98+%
• Empirical Formula (Hill Notation): C10H7NO2

详细说明

MP Biomedicals - 02102636

Crystalline
Purity: 97-98%
Sulfhydryl inhibitor

MP Biomedicals - 05216660

MP Biomedicals Rare Chemical collection

Sigma Aldrich - P27100

包装
25, 100 g in poly bottle

参考文献

• Used as a dipolarophile in 1,3-cycloaddition reaction with a nitrone, generated in situ: Org. Synth. Coll., 5, 957 (1973). Traps stereoselectively the small proportion of azomethine ylide in equilibrium with the imines of ɑ-amino acids: Tetrahedron, 44, 1523 (1988):
  
• 1,3-Dipoles can also be generated by F^- induced elimination: Org. Synth. Coll., 8, 231 (1993):
  
• Dienophile useful for the preparation of crystalline adducts of dienes.