2-methyl-1H-imidazole

• ChemBase编号: 85901
• 分子式: C4H6N2
• 平均质量: 82.10384
• 单一同位素质量: 82.0530982
• SMILES: [nH]1c(ncc1)C
• Canonical SMILES: Cc1ncc[nH]1
• InChI: InChI=1S/C4H6N2/c1-4-5-2-3-6-4/h2-3H,1H3,(H,5,6)
• InChIKey: LXBGSDVWAMZHDD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-methyl-1H-imidazole
• IUPAC传统名: 1H-imidazole, 2-methyl-
• 别名: 2-甲基-1,3-氮杂茂; 2-甲基咪唑; 2-Methylglyoxaline; 2-Methylimidazole; 2-METHYLIMIDAZOLE; 2-Methyl-1H-imidazole; Ondansetron impurity F (PhEur); 1H-2-Methylimidazole; 2-Methyl-1H-imidazole; 2MZ; 2MZ-H; 2MZ-PW; Actiron 2MI; Curezol 2MZ; Curezol 2MZ-P; Denka CN 25; Epicure MI 2; Epikure MI 2; Imicure AMI 2; NSC 21394

登记号

• CAS号: 693-98-1
• EC号: 211-765-7
• MDL号: MFCD00005190
• Beilstein号: 1368
• PubChem SID: 162073017; 24896976; 24885297
• PubChem CID: 12749

理论计算性质

• Acid pKa: 13.924599
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -1.0534854
• LogD (pH = 7.4): -0.3397188
• Log P: -0.022159476
• 摩尔折射率: 23.4535 cm^3
• 极化性: 8.9042 Å^3
• 极化表面积: 28.68 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 142°C; 142-143 °C(lit.); 142-144°C; 144-146 °C
• 沸点: 267°C; 267-268 °C(lit.); 267-268°C
• 闪点: 155°C(311°F)
• 蒸汽压: <1 mmHg ( 0 °C)

安全信息

• 保存注意事项: Harmful/Corrosive
• RTECS编号: NI7175000
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); X
• 联合国危险货物编号: 3259; UN1759
• 德国WGK号: 2
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 2; III
• 危险公开号: 22-34; R:34
• 安全公开号: 20-26-36/37/39-45-60; 26-36/37/39-45; S:26-27/28-36/37/39-46-64
• TSCA收录: 是
• GHS危险品标识: GHS05; GHS06; GHS07
• GHS警示词: Danger
• GHS危险声明: H301-H314-H318; H302-H314
• GHS警示性声明: P260-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A; P280-P305 + P351 + P338-P310
• 个人保护装置: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3259 8/PG 2
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥95.0% (HPLC); ≥98.0% (NT); 97%; 98%; 99%
• 级别: purum
• 杂质: ≤10.0% related substances; ≤5.0% solvents; ≤5.0% water
• 有效期: (limited shelf life, expiry date on the label)
• Empirical Formula (Hill Notation): C4H6N2

详细说明

MP Biomedicals - 05209381

MP Biomedicals Rare Chemical collection

Sigma Aldrich - M50850

包装
100, 500 g in poly bottle
Protocols & Applications
Metal Organic Framework Linkers Technology Spotlight

Toronto Research Chemicals - M312985

2-Methylimidazole is a monomethylated imidazole that can be used as a building block in the preparation of a wide range of biologically active compounds. 2-Methylimidazole as well as other imidazoles can be use as catalyst for refolding of enhanced colour

参考文献

• Shi, R. et al.: Arch. Biochem. Biophys., 459, 122 (2007)
• Chan, P.C. et al.: Arch. Toxicol., 82, 399 (2007)
• Nishie, K. et al.: Toxicol. Appl. Pharmacol., 14, 301 (2007)