1-ethenylpyrrolidin-2-one

• ChemBase编号: 128529
• 分子式: C6H9NO
• 平均质量: 111.14176
• 单一同位素质量: 111.06841391
• SMILES: O=C1N(C=C)CCC1
• Canonical SMILES: C=CN1CCCC1=O
• InChI: InChI=1S/C6H9NO/c1-2-7-5-3-4-6(7)8/h2H,1,3-5H2
• InChIKey: WHNWPMSKXPGLAX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-ethenylpyrrolidin-2-one
• IUPAC传统名: N-vinylpyrrolidone
• 别名: 聚乙烯吡咯烷酮, M.W. 1,300,000; N-乙烯基吡咯烷酮; 1-乙烯基-2-吡咯烷酮; 聚乙烯吡咯烷酮, 交联; 聚乙烯吡咯烷酮, M.W. 8,000; 聚乙烯吡咯烷酮, 平均 M.W. 58,000; 1-Vinylpyrrolidin-2-one; Polyvinylpyrrolidone, M.W. 1,300,000; PVP; PovidonP; PolyvidonePoly[1-(2-oxo-1-pyrrolidinyl)ethylen]1-Ethenyl-2-pyrrolidon homopolymer1-Vinyl-2-pyrrolidinon-PolymereCopovidonePNVP; Polyvinylpyrrolidone; N-ethenyl-2-pyrrolidone; N-vinyl-2-pyrrolidone; 1-vinyl-2-pyrrolidone; N-vinylbutyrolactam; N-Vinylpyrrolidone; 1-Vinyl-2-pyrrolidinone; Polyvinylpolypyrrolidone; Polyvinylpyrrolidone, cross linked; Polyvinylpyrrolidone, M.W. 8,000; PVP K-30; Polyvinylpyrrolidone, average M.W. 58,000

登记号

• CAS号: 9003-39-8; 25249-54-1; 88-12-0
• EC号: 201-800-4
• MDL号: MFCD00003197; MFCD00149016
• Beilstein号: 110513
• 默克索引号: 147697
• PubChem SID: 162222836; 24900740; 24890085
• PubChem CID: 6917
• CHEMBL: 1909074
• Chemspider ID: NA; 6651
• 美国药典/FDA物质标识码: 76H9G81541
• 维基百科标题: Polyvinylpyrrolidone; N-Vinylpyrrolidone

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 0.14874117
• LogD (pH = 7.4): 0.14874117
• Log P: 0.14874117
• 摩尔折射率: 30.8468 cm^3
• 极化性: 12.020745 Å^3
• 极化表面积: 20.31 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

• 外观: Powder; white to light yellow, hygroscopic, amorphous powder
• 熔点: >300°C; 13 - 14 °C; 130°C; 150 - 180 °C (glass temperature)
• 沸点: 90 - 92 °C (1,3 kPa); 92-95 °C/11 mmHg(lit.)
• 闪点: 203 °F; 95 °C; 95°C
• 自燃点: 685 °F
• 密度: 1.04 g/mL at 25 °C(lit.); 1.043 g/cm3; 1.2 g/cm3
• 折射率: n20/D 1.512(lit.); n20/D 1.513
• 蒸汽压: 0.1 mmHg ( 24 °C)
• 蒸汽密度: 3.8 (vs air)

安全信息

• 保存注意事项: Hygroscopic
• RTECS编号: UY6107000
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 联合国危险货物编号: 2810
• 德国WGK号: 1
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 3
• 危险公开号: 20/21/22-37-40-41-48/20
• 安全公开号: 26-36/37/39
• TSCA收录: 是
• GHS危险品标识: GHS05; GHS07; GHS08
• GHS警示词: Danger
• 爆炸极限: 10 %
• GHS危险声明: H302 + H312 + H332-H318-H335-H351-H373; H302-H312-H318-H332-H335-H351-H373
• GHS警示性声明: P261-P280-P305 + P351 + P338
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2810 6.1/PG 3

产品相关信息

• 纯度: ≥97.0% (GC); ≥99%; ≥99.0%; 95+%; 97%
• 级别: purum; SAJ first grade
• 其他组分: ~0.001% N,N′-di-sec-butyl-p-phenylenediamine as stabilizer; ~25 ppm N,N′-di-sec-butyl-p-phenylenediamine as inhibitor; 100 ppm sodium hydroxide as inhibitor ((added to bulk material)); sodium hydroxide as inhibitor
• Empirical Formula (Hill Notation): C6H9NO

详细说明

Sigma Aldrich - V3409

包装
1 kg in glass bottle
18 kg in steel drum
5, 250 g in glass bottle