2,4-dichloro-6-(pyren-1-yl)-1,3,5-triazine

• ChemBase编号: 154990
• 分子式: C19H9Cl2N3
• 平均质量: 350.20086
• 单一同位素质量: 349.01735266
• SMILES: c1cc2ccc3ccc(c4c3c2c(c1)cc4)c1nc(nc(n1)Cl)Cl
• Canonical SMILES: Clc1nc(Cl)nc(n1)c1ccc2c3c1ccc1c3c(cc2)ccc1
• InChI: InChI=1S/C19H9Cl2N3/c20-18-22-17(23-19(21)24-18)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H
• InChIKey: ZDMAOBNCIJTNCB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,4-dichloro-6-(pyren-1-yl)-1,3,5-triazine
• IUPAC传统名: 2,4-dichloro-6-(pyren-1-yl)-1,3,5-triazine
• 别名: 1-(dichloro-1,3,5-triazinyl)pyrene; 4,6-Dichloro-2-(1-pyrenyl)-1,3,5-triazine; PyTC2; 1-(4,6-Dichloro-1,3,5-triazin-2-yl)pyrene

登记号

• CAS号: 3224-36-0
• EC号: 221-754-9
• MDL号: MFCD08276990
• PubChem SID: 24848566; 162249128
• PubChem CID: 76698

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 6.215177
• LogD (pH = 7.4): 6.215177
• Log P: 6.215177
• 摩尔折射率: 109.5945 cm^3
• 极化性: 41.12637 Å^3
• 极化表面积: 38.67 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: chloroform: soluble
• 荧光: λex 458 nm; λem 497 nm in DMF

安全信息

• 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
• 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: 25-36/37/38-50/53
• 安全公开号: 26-45-60-61
• GHS危险品标识: GHS06; GHS09
• GHS警示词: Danger
• GHS危险声明: H301-H315-H319-H335-H410
• GHS警示性声明: P261-P273-P301 + P310-P305 + P351 + P338-P501
• 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: ≥85% (HPCE)
• 适用性: suitable for fluorescence
• 产品线: BioReagent
• Empirical Formula (Hill Notation): C19H9Cl2N3

详细说明

Sigma Aldrich - 14293

Application
1-(4,6-Dichloro-1,3,5-triazin-2-yl)pyrene is a fluorescent probe with high quantum efficiency, exhibiting single exponential decay kinetics. The radiative fluorescence lifetime is almost constant and independent on molecular surroundings allowing this probe to be utilized in a range of microsurroundings with exciting radiation at a constant wavelength (in the blue spectral range). Its fluorescence emission demonstrates a large solvatochromic shift which changes with solvent polarity. For example, the maximum shifts from 435 nm in low polarity n-heptane to 492 nm in high polarity acetonitrile. This product is only sparingly soluble in water 1.