3,6-bis(diethylamino)-10$l^{4}-xanthen-10-ylium trichloroiron chloride

• ChemBase编号: 103506
• 分子式: C21H27Cl4FeN2O
• 平均质量: 521.10888
• 单一同位素质量: 519.02268671
• SMILES: [Cl-].CCN(CC)c1cc2[o+]c3c(ccc(c3)N(CC)CC)cc2cc1.Cl[Fe](Cl)Cl
• Canonical SMILES: Cl[Fe](Cl)Cl.CCN(c1ccc2c(c1)[o+]c1c(c2)ccc(c1)N(CC)CC)CC.[Cl-]
• InChI: InChI=1S/C21H27N2O.4ClH.Fe/c1-5-22(6-2)18-11-9-16-13-17-10-12-19(23(7-3)8-4)15-21(17)24-20(16)14-18;;;;;/h9-15H,5-8H2,1-4H3;4*1H;/q+1;;;;;+3/p-4
• InChIKey: SUVPQRYDMCNTPV-UHFFFAOYSA-J

名称和登记号

名称

• IUPAC标准名: 3,6-bis(diethylamino)-10$l^{4}-xanthen-10-ylium trichloroiron chloride; 3,6-bis(diethylamino)-10λ^4-xanthen-10-ylium trichloroiron chloride
• IUPAC传统名: 3,6-bis(diethylamino)-10$l^{4}-xanthen-10-ylium ferric chloride chloride; 3,6-bis(diethylamino)-10λ^4-xanthen-10-ylium ferric chloride chloride
• 别名: (6-(Diethylamino)-3H-xanten-3-ylidene) diethylammonium chloride; E tetraethylpyronin; PYRONIN B FERRIC CHLORIDE COMPLEX; Pyronin B

登记号

• CAS号: 2150-48-3
• EC号: 218-429-9
• MDL号: MFCD03701356
• Beilstein号: 3846969
• PubChem SID: 24852004; 162090422; 24898803
• PubChem CID: 16211448
• Color Index Number: 45010

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 5.658368
• LogD (pH = 7.4): 5.6586094
• Log P: 5.6586123
• 摩尔折射率: 104.4656 cm^3
• 极化性: 41.017735 Å^3
• 极化表面积: 19.62 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 174-176 °C(lit.); 174-176°C
• 紫外吸收波长: λmax 553 nm

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: BP6832000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: R:36/37/38
• 安全公开号: S:20-25-26-37/39
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 级别: certified by the Biological Stain Commission
• 主要成分: Dye content, ≥30%; Dye content, 40%
• Empirical Formula (Hill Notation): C42H54Cl8Fe2N4O2

详细说明

MP Biomedicals - 02151996

C.I. 45010
Biological stain for identifying denatured DNA in electrophoresis procedures.

Sigma Aldrich - 201308

包装
5, 25 g in glass bottle
Suitability
Certified for use in the methyl green-pyronin method for differential coloration of nucleic acids.

Sigma Aldrich - P6892

包装
25 g in glass bottle